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- .gitattributes +4 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/cartesian.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/circuitutils.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/matrixcache.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/pauli.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/represent.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/__pycache__/state.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/boson.py +259 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/commutator.py +239 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/constants.py +59 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/density.py +319 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/gate.py +1309 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/hilbert.py +653 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/matrixutils.py +272 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/pauli.py +675 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_boson.cpython-310.pyc +0 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_commutator.cpython-310.pyc +0 -0
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- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_printing.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_represent.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_shor.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_trace.cpython-310.pyc +0 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_anticommutator.py +56 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_boson.py +50 -0
- pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_cartesian.py +104 -0
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| 1 |
+
"""Bosonic quantum operators."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.mul import Mul
|
| 4 |
+
from sympy.core.numbers import Integer
|
| 5 |
+
from sympy.core.singleton import S
|
| 6 |
+
from sympy.functions.elementary.complexes import conjugate
|
| 7 |
+
from sympy.functions.elementary.exponential import exp
|
| 8 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 9 |
+
from sympy.physics.quantum import Operator
|
| 10 |
+
from sympy.physics.quantum import HilbertSpace, FockSpace, Ket, Bra, IdentityOperator
|
| 11 |
+
from sympy.functions.special.tensor_functions import KroneckerDelta
|
| 12 |
+
|
| 13 |
+
|
| 14 |
+
__all__ = [
|
| 15 |
+
'BosonOp',
|
| 16 |
+
'BosonFockKet',
|
| 17 |
+
'BosonFockBra',
|
| 18 |
+
'BosonCoherentKet',
|
| 19 |
+
'BosonCoherentBra'
|
| 20 |
+
]
|
| 21 |
+
|
| 22 |
+
|
| 23 |
+
class BosonOp(Operator):
|
| 24 |
+
"""A bosonic operator that satisfies [a, Dagger(a)] == 1.
|
| 25 |
+
|
| 26 |
+
Parameters
|
| 27 |
+
==========
|
| 28 |
+
|
| 29 |
+
name : str
|
| 30 |
+
A string that labels the bosonic mode.
|
| 31 |
+
|
| 32 |
+
annihilation : bool
|
| 33 |
+
A bool that indicates if the bosonic operator is an annihilation (True,
|
| 34 |
+
default value) or creation operator (False)
|
| 35 |
+
|
| 36 |
+
Examples
|
| 37 |
+
========
|
| 38 |
+
|
| 39 |
+
>>> from sympy.physics.quantum import Dagger, Commutator
|
| 40 |
+
>>> from sympy.physics.quantum.boson import BosonOp
|
| 41 |
+
>>> a = BosonOp("a")
|
| 42 |
+
>>> Commutator(a, Dagger(a)).doit()
|
| 43 |
+
1
|
| 44 |
+
"""
|
| 45 |
+
|
| 46 |
+
@property
|
| 47 |
+
def name(self):
|
| 48 |
+
return self.args[0]
|
| 49 |
+
|
| 50 |
+
@property
|
| 51 |
+
def is_annihilation(self):
|
| 52 |
+
return bool(self.args[1])
|
| 53 |
+
|
| 54 |
+
@classmethod
|
| 55 |
+
def default_args(self):
|
| 56 |
+
return ("a", True)
|
| 57 |
+
|
| 58 |
+
def __new__(cls, *args, **hints):
|
| 59 |
+
if not len(args) in [1, 2]:
|
| 60 |
+
raise ValueError('1 or 2 parameters expected, got %s' % args)
|
| 61 |
+
|
| 62 |
+
if len(args) == 1:
|
| 63 |
+
args = (args[0], S.One)
|
| 64 |
+
|
| 65 |
+
if len(args) == 2:
|
| 66 |
+
args = (args[0], Integer(args[1]))
|
| 67 |
+
|
| 68 |
+
return Operator.__new__(cls, *args)
|
| 69 |
+
|
| 70 |
+
def _eval_commutator_BosonOp(self, other, **hints):
|
| 71 |
+
if self.name == other.name:
|
| 72 |
+
# [a^\dagger, a] = -1
|
| 73 |
+
if not self.is_annihilation and other.is_annihilation:
|
| 74 |
+
return S.NegativeOne
|
| 75 |
+
|
| 76 |
+
elif 'independent' in hints and hints['independent']:
|
| 77 |
+
# [a, b] = 0
|
| 78 |
+
return S.Zero
|
| 79 |
+
|
| 80 |
+
return None
|
| 81 |
+
|
| 82 |
+
def _eval_commutator_FermionOp(self, other, **hints):
|
| 83 |
+
return S.Zero
|
| 84 |
+
|
| 85 |
+
def _eval_anticommutator_BosonOp(self, other, **hints):
|
| 86 |
+
if 'independent' in hints and hints['independent']:
|
| 87 |
+
# {a, b} = 2 * a * b, because [a, b] = 0
|
| 88 |
+
return 2 * self * other
|
| 89 |
+
|
| 90 |
+
return None
|
| 91 |
+
|
| 92 |
+
def _eval_adjoint(self):
|
| 93 |
+
return BosonOp(str(self.name), not self.is_annihilation)
|
| 94 |
+
|
| 95 |
+
def __mul__(self, other):
|
| 96 |
+
|
| 97 |
+
if other == IdentityOperator(2):
|
| 98 |
+
return self
|
| 99 |
+
|
| 100 |
+
if isinstance(other, Mul):
|
| 101 |
+
args1 = tuple(arg for arg in other.args if arg.is_commutative)
|
| 102 |
+
args2 = tuple(arg for arg in other.args if not arg.is_commutative)
|
| 103 |
+
x = self
|
| 104 |
+
for y in args2:
|
| 105 |
+
x = x * y
|
| 106 |
+
return Mul(*args1) * x
|
| 107 |
+
|
| 108 |
+
return Mul(self, other)
|
| 109 |
+
|
| 110 |
+
def _print_contents_latex(self, printer, *args):
|
| 111 |
+
if self.is_annihilation:
|
| 112 |
+
return r'{%s}' % str(self.name)
|
| 113 |
+
else:
|
| 114 |
+
return r'{{%s}^\dagger}' % str(self.name)
|
| 115 |
+
|
| 116 |
+
def _print_contents(self, printer, *args):
|
| 117 |
+
if self.is_annihilation:
|
| 118 |
+
return r'%s' % str(self.name)
|
| 119 |
+
else:
|
| 120 |
+
return r'Dagger(%s)' % str(self.name)
|
| 121 |
+
|
| 122 |
+
def _print_contents_pretty(self, printer, *args):
|
| 123 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 124 |
+
pform = printer._print(self.args[0], *args)
|
| 125 |
+
if self.is_annihilation:
|
| 126 |
+
return pform
|
| 127 |
+
else:
|
| 128 |
+
return pform**prettyForm('\N{DAGGER}')
|
| 129 |
+
|
| 130 |
+
|
| 131 |
+
class BosonFockKet(Ket):
|
| 132 |
+
"""Fock state ket for a bosonic mode.
|
| 133 |
+
|
| 134 |
+
Parameters
|
| 135 |
+
==========
|
| 136 |
+
|
| 137 |
+
n : Number
|
| 138 |
+
The Fock state number.
|
| 139 |
+
|
| 140 |
+
"""
|
| 141 |
+
|
| 142 |
+
def __new__(cls, n):
|
| 143 |
+
return Ket.__new__(cls, n)
|
| 144 |
+
|
| 145 |
+
@property
|
| 146 |
+
def n(self):
|
| 147 |
+
return self.label[0]
|
| 148 |
+
|
| 149 |
+
@classmethod
|
| 150 |
+
def dual_class(self):
|
| 151 |
+
return BosonFockBra
|
| 152 |
+
|
| 153 |
+
@classmethod
|
| 154 |
+
def _eval_hilbert_space(cls, label):
|
| 155 |
+
return FockSpace()
|
| 156 |
+
|
| 157 |
+
def _eval_innerproduct_BosonFockBra(self, bra, **hints):
|
| 158 |
+
return KroneckerDelta(self.n, bra.n)
|
| 159 |
+
|
| 160 |
+
def _apply_from_right_to_BosonOp(self, op, **options):
|
| 161 |
+
if op.is_annihilation:
|
| 162 |
+
return sqrt(self.n) * BosonFockKet(self.n - 1)
|
| 163 |
+
else:
|
| 164 |
+
return sqrt(self.n + 1) * BosonFockKet(self.n + 1)
|
| 165 |
+
|
| 166 |
+
|
| 167 |
+
class BosonFockBra(Bra):
|
| 168 |
+
"""Fock state bra for a bosonic mode.
|
| 169 |
+
|
| 170 |
+
Parameters
|
| 171 |
+
==========
|
| 172 |
+
|
| 173 |
+
n : Number
|
| 174 |
+
The Fock state number.
|
| 175 |
+
|
| 176 |
+
"""
|
| 177 |
+
|
| 178 |
+
def __new__(cls, n):
|
| 179 |
+
return Bra.__new__(cls, n)
|
| 180 |
+
|
| 181 |
+
@property
|
| 182 |
+
def n(self):
|
| 183 |
+
return self.label[0]
|
| 184 |
+
|
| 185 |
+
@classmethod
|
| 186 |
+
def dual_class(self):
|
| 187 |
+
return BosonFockKet
|
| 188 |
+
|
| 189 |
+
@classmethod
|
| 190 |
+
def _eval_hilbert_space(cls, label):
|
| 191 |
+
return FockSpace()
|
| 192 |
+
|
| 193 |
+
|
| 194 |
+
class BosonCoherentKet(Ket):
|
| 195 |
+
"""Coherent state ket for a bosonic mode.
|
| 196 |
+
|
| 197 |
+
Parameters
|
| 198 |
+
==========
|
| 199 |
+
|
| 200 |
+
alpha : Number, Symbol
|
| 201 |
+
The complex amplitude of the coherent state.
|
| 202 |
+
|
| 203 |
+
"""
|
| 204 |
+
|
| 205 |
+
def __new__(cls, alpha):
|
| 206 |
+
return Ket.__new__(cls, alpha)
|
| 207 |
+
|
| 208 |
+
@property
|
| 209 |
+
def alpha(self):
|
| 210 |
+
return self.label[0]
|
| 211 |
+
|
| 212 |
+
@classmethod
|
| 213 |
+
def dual_class(self):
|
| 214 |
+
return BosonCoherentBra
|
| 215 |
+
|
| 216 |
+
@classmethod
|
| 217 |
+
def _eval_hilbert_space(cls, label):
|
| 218 |
+
return HilbertSpace()
|
| 219 |
+
|
| 220 |
+
def _eval_innerproduct_BosonCoherentBra(self, bra, **hints):
|
| 221 |
+
if self.alpha == bra.alpha:
|
| 222 |
+
return S.One
|
| 223 |
+
else:
|
| 224 |
+
return exp(-(abs(self.alpha)**2 + abs(bra.alpha)**2 - 2 * conjugate(bra.alpha) * self.alpha)/2)
|
| 225 |
+
|
| 226 |
+
def _apply_from_right_to_BosonOp(self, op, **options):
|
| 227 |
+
if op.is_annihilation:
|
| 228 |
+
return self.alpha * self
|
| 229 |
+
else:
|
| 230 |
+
return None
|
| 231 |
+
|
| 232 |
+
|
| 233 |
+
class BosonCoherentBra(Bra):
|
| 234 |
+
"""Coherent state bra for a bosonic mode.
|
| 235 |
+
|
| 236 |
+
Parameters
|
| 237 |
+
==========
|
| 238 |
+
|
| 239 |
+
alpha : Number, Symbol
|
| 240 |
+
The complex amplitude of the coherent state.
|
| 241 |
+
|
| 242 |
+
"""
|
| 243 |
+
|
| 244 |
+
def __new__(cls, alpha):
|
| 245 |
+
return Bra.__new__(cls, alpha)
|
| 246 |
+
|
| 247 |
+
@property
|
| 248 |
+
def alpha(self):
|
| 249 |
+
return self.label[0]
|
| 250 |
+
|
| 251 |
+
@classmethod
|
| 252 |
+
def dual_class(self):
|
| 253 |
+
return BosonCoherentKet
|
| 254 |
+
|
| 255 |
+
def _apply_operator_BosonOp(self, op, **options):
|
| 256 |
+
if not op.is_annihilation:
|
| 257 |
+
return self.alpha * self
|
| 258 |
+
else:
|
| 259 |
+
return None
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/commutator.py
ADDED
|
@@ -0,0 +1,239 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""The commutator: [A,B] = A*B - B*A."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.add import Add
|
| 4 |
+
from sympy.core.expr import Expr
|
| 5 |
+
from sympy.core.mul import Mul
|
| 6 |
+
from sympy.core.power import Pow
|
| 7 |
+
from sympy.core.singleton import S
|
| 8 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 9 |
+
|
| 10 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 11 |
+
from sympy.physics.quantum.operator import Operator
|
| 12 |
+
|
| 13 |
+
|
| 14 |
+
__all__ = [
|
| 15 |
+
'Commutator'
|
| 16 |
+
]
|
| 17 |
+
|
| 18 |
+
#-----------------------------------------------------------------------------
|
| 19 |
+
# Commutator
|
| 20 |
+
#-----------------------------------------------------------------------------
|
| 21 |
+
|
| 22 |
+
|
| 23 |
+
class Commutator(Expr):
|
| 24 |
+
"""The standard commutator, in an unevaluated state.
|
| 25 |
+
|
| 26 |
+
Explanation
|
| 27 |
+
===========
|
| 28 |
+
|
| 29 |
+
Evaluating a commutator is defined [1]_ as: ``[A, B] = A*B - B*A``. This
|
| 30 |
+
class returns the commutator in an unevaluated form. To evaluate the
|
| 31 |
+
commutator, use the ``.doit()`` method.
|
| 32 |
+
|
| 33 |
+
Canonical ordering of a commutator is ``[A, B]`` for ``A < B``. The
|
| 34 |
+
arguments of the commutator are put into canonical order using ``__cmp__``.
|
| 35 |
+
If ``B < A``, then ``[B, A]`` is returned as ``-[A, B]``.
|
| 36 |
+
|
| 37 |
+
Parameters
|
| 38 |
+
==========
|
| 39 |
+
|
| 40 |
+
A : Expr
|
| 41 |
+
The first argument of the commutator [A,B].
|
| 42 |
+
B : Expr
|
| 43 |
+
The second argument of the commutator [A,B].
|
| 44 |
+
|
| 45 |
+
Examples
|
| 46 |
+
========
|
| 47 |
+
|
| 48 |
+
>>> from sympy.physics.quantum import Commutator, Dagger, Operator
|
| 49 |
+
>>> from sympy.abc import x, y
|
| 50 |
+
>>> A = Operator('A')
|
| 51 |
+
>>> B = Operator('B')
|
| 52 |
+
>>> C = Operator('C')
|
| 53 |
+
|
| 54 |
+
Create a commutator and use ``.doit()`` to evaluate it:
|
| 55 |
+
|
| 56 |
+
>>> comm = Commutator(A, B)
|
| 57 |
+
>>> comm
|
| 58 |
+
[A,B]
|
| 59 |
+
>>> comm.doit()
|
| 60 |
+
A*B - B*A
|
| 61 |
+
|
| 62 |
+
The commutator orders it arguments in canonical order:
|
| 63 |
+
|
| 64 |
+
>>> comm = Commutator(B, A); comm
|
| 65 |
+
-[A,B]
|
| 66 |
+
|
| 67 |
+
Commutative constants are factored out:
|
| 68 |
+
|
| 69 |
+
>>> Commutator(3*x*A, x*y*B)
|
| 70 |
+
3*x**2*y*[A,B]
|
| 71 |
+
|
| 72 |
+
Using ``.expand(commutator=True)``, the standard commutator expansion rules
|
| 73 |
+
can be applied:
|
| 74 |
+
|
| 75 |
+
>>> Commutator(A+B, C).expand(commutator=True)
|
| 76 |
+
[A,C] + [B,C]
|
| 77 |
+
>>> Commutator(A, B+C).expand(commutator=True)
|
| 78 |
+
[A,B] + [A,C]
|
| 79 |
+
>>> Commutator(A*B, C).expand(commutator=True)
|
| 80 |
+
[A,C]*B + A*[B,C]
|
| 81 |
+
>>> Commutator(A, B*C).expand(commutator=True)
|
| 82 |
+
[A,B]*C + B*[A,C]
|
| 83 |
+
|
| 84 |
+
Adjoint operations applied to the commutator are properly applied to the
|
| 85 |
+
arguments:
|
| 86 |
+
|
| 87 |
+
>>> Dagger(Commutator(A, B))
|
| 88 |
+
-[Dagger(A),Dagger(B)]
|
| 89 |
+
|
| 90 |
+
References
|
| 91 |
+
==========
|
| 92 |
+
|
| 93 |
+
.. [1] https://en.wikipedia.org/wiki/Commutator
|
| 94 |
+
"""
|
| 95 |
+
is_commutative = False
|
| 96 |
+
|
| 97 |
+
def __new__(cls, A, B):
|
| 98 |
+
r = cls.eval(A, B)
|
| 99 |
+
if r is not None:
|
| 100 |
+
return r
|
| 101 |
+
obj = Expr.__new__(cls, A, B)
|
| 102 |
+
return obj
|
| 103 |
+
|
| 104 |
+
@classmethod
|
| 105 |
+
def eval(cls, a, b):
|
| 106 |
+
if not (a and b):
|
| 107 |
+
return S.Zero
|
| 108 |
+
if a == b:
|
| 109 |
+
return S.Zero
|
| 110 |
+
if a.is_commutative or b.is_commutative:
|
| 111 |
+
return S.Zero
|
| 112 |
+
|
| 113 |
+
# [xA,yB] -> xy*[A,B]
|
| 114 |
+
ca, nca = a.args_cnc()
|
| 115 |
+
cb, ncb = b.args_cnc()
|
| 116 |
+
c_part = ca + cb
|
| 117 |
+
if c_part:
|
| 118 |
+
return Mul(Mul(*c_part), cls(Mul._from_args(nca), Mul._from_args(ncb)))
|
| 119 |
+
|
| 120 |
+
# Canonical ordering of arguments
|
| 121 |
+
# The Commutator [A, B] is in canonical form if A < B.
|
| 122 |
+
if a.compare(b) == 1:
|
| 123 |
+
return S.NegativeOne*cls(b, a)
|
| 124 |
+
|
| 125 |
+
def _expand_pow(self, A, B, sign):
|
| 126 |
+
exp = A.exp
|
| 127 |
+
if not exp.is_integer or not exp.is_constant() or abs(exp) <= 1:
|
| 128 |
+
# nothing to do
|
| 129 |
+
return self
|
| 130 |
+
base = A.base
|
| 131 |
+
if exp.is_negative:
|
| 132 |
+
base = A.base**-1
|
| 133 |
+
exp = -exp
|
| 134 |
+
comm = Commutator(base, B).expand(commutator=True)
|
| 135 |
+
|
| 136 |
+
result = base**(exp - 1) * comm
|
| 137 |
+
for i in range(1, exp):
|
| 138 |
+
result += base**(exp - 1 - i) * comm * base**i
|
| 139 |
+
return sign*result.expand()
|
| 140 |
+
|
| 141 |
+
def _eval_expand_commutator(self, **hints):
|
| 142 |
+
A = self.args[0]
|
| 143 |
+
B = self.args[1]
|
| 144 |
+
|
| 145 |
+
if isinstance(A, Add):
|
| 146 |
+
# [A + B, C] -> [A, C] + [B, C]
|
| 147 |
+
sargs = []
|
| 148 |
+
for term in A.args:
|
| 149 |
+
comm = Commutator(term, B)
|
| 150 |
+
if isinstance(comm, Commutator):
|
| 151 |
+
comm = comm._eval_expand_commutator()
|
| 152 |
+
sargs.append(comm)
|
| 153 |
+
return Add(*sargs)
|
| 154 |
+
elif isinstance(B, Add):
|
| 155 |
+
# [A, B + C] -> [A, B] + [A, C]
|
| 156 |
+
sargs = []
|
| 157 |
+
for term in B.args:
|
| 158 |
+
comm = Commutator(A, term)
|
| 159 |
+
if isinstance(comm, Commutator):
|
| 160 |
+
comm = comm._eval_expand_commutator()
|
| 161 |
+
sargs.append(comm)
|
| 162 |
+
return Add(*sargs)
|
| 163 |
+
elif isinstance(A, Mul):
|
| 164 |
+
# [A*B, C] -> A*[B, C] + [A, C]*B
|
| 165 |
+
a = A.args[0]
|
| 166 |
+
b = Mul(*A.args[1:])
|
| 167 |
+
c = B
|
| 168 |
+
comm1 = Commutator(b, c)
|
| 169 |
+
comm2 = Commutator(a, c)
|
| 170 |
+
if isinstance(comm1, Commutator):
|
| 171 |
+
comm1 = comm1._eval_expand_commutator()
|
| 172 |
+
if isinstance(comm2, Commutator):
|
| 173 |
+
comm2 = comm2._eval_expand_commutator()
|
| 174 |
+
first = Mul(a, comm1)
|
| 175 |
+
second = Mul(comm2, b)
|
| 176 |
+
return Add(first, second)
|
| 177 |
+
elif isinstance(B, Mul):
|
| 178 |
+
# [A, B*C] -> [A, B]*C + B*[A, C]
|
| 179 |
+
a = A
|
| 180 |
+
b = B.args[0]
|
| 181 |
+
c = Mul(*B.args[1:])
|
| 182 |
+
comm1 = Commutator(a, b)
|
| 183 |
+
comm2 = Commutator(a, c)
|
| 184 |
+
if isinstance(comm1, Commutator):
|
| 185 |
+
comm1 = comm1._eval_expand_commutator()
|
| 186 |
+
if isinstance(comm2, Commutator):
|
| 187 |
+
comm2 = comm2._eval_expand_commutator()
|
| 188 |
+
first = Mul(comm1, c)
|
| 189 |
+
second = Mul(b, comm2)
|
| 190 |
+
return Add(first, second)
|
| 191 |
+
elif isinstance(A, Pow):
|
| 192 |
+
# [A**n, C] -> A**(n - 1)*[A, C] + A**(n - 2)*[A, C]*A + ... + [A, C]*A**(n-1)
|
| 193 |
+
return self._expand_pow(A, B, 1)
|
| 194 |
+
elif isinstance(B, Pow):
|
| 195 |
+
# [A, C**n] -> C**(n - 1)*[C, A] + C**(n - 2)*[C, A]*C + ... + [C, A]*C**(n-1)
|
| 196 |
+
return self._expand_pow(B, A, -1)
|
| 197 |
+
|
| 198 |
+
# No changes, so return self
|
| 199 |
+
return self
|
| 200 |
+
|
| 201 |
+
def doit(self, **hints):
|
| 202 |
+
""" Evaluate commutator """
|
| 203 |
+
A = self.args[0]
|
| 204 |
+
B = self.args[1]
|
| 205 |
+
if isinstance(A, Operator) and isinstance(B, Operator):
|
| 206 |
+
try:
|
| 207 |
+
comm = A._eval_commutator(B, **hints)
|
| 208 |
+
except NotImplementedError:
|
| 209 |
+
try:
|
| 210 |
+
comm = -1*B._eval_commutator(A, **hints)
|
| 211 |
+
except NotImplementedError:
|
| 212 |
+
comm = None
|
| 213 |
+
if comm is not None:
|
| 214 |
+
return comm.doit(**hints)
|
| 215 |
+
return (A*B - B*A).doit(**hints)
|
| 216 |
+
|
| 217 |
+
def _eval_adjoint(self):
|
| 218 |
+
return Commutator(Dagger(self.args[1]), Dagger(self.args[0]))
|
| 219 |
+
|
| 220 |
+
def _sympyrepr(self, printer, *args):
|
| 221 |
+
return "%s(%s,%s)" % (
|
| 222 |
+
self.__class__.__name__, printer._print(
|
| 223 |
+
self.args[0]), printer._print(self.args[1])
|
| 224 |
+
)
|
| 225 |
+
|
| 226 |
+
def _sympystr(self, printer, *args):
|
| 227 |
+
return "[%s,%s]" % (
|
| 228 |
+
printer._print(self.args[0]), printer._print(self.args[1]))
|
| 229 |
+
|
| 230 |
+
def _pretty(self, printer, *args):
|
| 231 |
+
pform = printer._print(self.args[0], *args)
|
| 232 |
+
pform = prettyForm(*pform.right(prettyForm(',')))
|
| 233 |
+
pform = prettyForm(*pform.right(printer._print(self.args[1], *args)))
|
| 234 |
+
pform = prettyForm(*pform.parens(left='[', right=']'))
|
| 235 |
+
return pform
|
| 236 |
+
|
| 237 |
+
def _latex(self, printer, *args):
|
| 238 |
+
return "\\left[%s,%s\\right]" % tuple([
|
| 239 |
+
printer._print(arg, *args) for arg in self.args])
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/constants.py
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Constants (like hbar) related to quantum mechanics."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import NumberSymbol
|
| 4 |
+
from sympy.core.singleton import Singleton
|
| 5 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 6 |
+
import mpmath.libmp as mlib
|
| 7 |
+
|
| 8 |
+
#-----------------------------------------------------------------------------
|
| 9 |
+
# Constants
|
| 10 |
+
#-----------------------------------------------------------------------------
|
| 11 |
+
|
| 12 |
+
__all__ = [
|
| 13 |
+
'hbar',
|
| 14 |
+
'HBar',
|
| 15 |
+
]
|
| 16 |
+
|
| 17 |
+
|
| 18 |
+
class HBar(NumberSymbol, metaclass=Singleton):
|
| 19 |
+
"""Reduced Plank's constant in numerical and symbolic form [1]_.
|
| 20 |
+
|
| 21 |
+
Examples
|
| 22 |
+
========
|
| 23 |
+
|
| 24 |
+
>>> from sympy.physics.quantum.constants import hbar
|
| 25 |
+
>>> hbar.evalf()
|
| 26 |
+
1.05457162000000e-34
|
| 27 |
+
|
| 28 |
+
References
|
| 29 |
+
==========
|
| 30 |
+
|
| 31 |
+
.. [1] https://en.wikipedia.org/wiki/Planck_constant
|
| 32 |
+
"""
|
| 33 |
+
|
| 34 |
+
is_real = True
|
| 35 |
+
is_positive = True
|
| 36 |
+
is_negative = False
|
| 37 |
+
is_irrational = True
|
| 38 |
+
|
| 39 |
+
__slots__ = ()
|
| 40 |
+
|
| 41 |
+
def _as_mpf_val(self, prec):
|
| 42 |
+
return mlib.from_float(1.05457162e-34, prec)
|
| 43 |
+
|
| 44 |
+
def _sympyrepr(self, printer, *args):
|
| 45 |
+
return 'HBar()'
|
| 46 |
+
|
| 47 |
+
def _sympystr(self, printer, *args):
|
| 48 |
+
return 'hbar'
|
| 49 |
+
|
| 50 |
+
def _pretty(self, printer, *args):
|
| 51 |
+
if printer._use_unicode:
|
| 52 |
+
return prettyForm('\N{PLANCK CONSTANT OVER TWO PI}')
|
| 53 |
+
return prettyForm('hbar')
|
| 54 |
+
|
| 55 |
+
def _latex(self, printer, *args):
|
| 56 |
+
return r'\hbar'
|
| 57 |
+
|
| 58 |
+
# Create an instance for everyone to use.
|
| 59 |
+
hbar = HBar()
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/density.py
ADDED
|
@@ -0,0 +1,319 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
from itertools import product
|
| 2 |
+
|
| 3 |
+
from sympy.core.add import Add
|
| 4 |
+
from sympy.core.containers import Tuple
|
| 5 |
+
from sympy.core.function import expand
|
| 6 |
+
from sympy.core.mul import Mul
|
| 7 |
+
from sympy.core.singleton import S
|
| 8 |
+
from sympy.functions.elementary.exponential import log
|
| 9 |
+
from sympy.matrices.dense import MutableDenseMatrix as Matrix
|
| 10 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 11 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 12 |
+
from sympy.physics.quantum.operator import HermitianOperator
|
| 13 |
+
from sympy.physics.quantum.represent import represent
|
| 14 |
+
from sympy.physics.quantum.matrixutils import numpy_ndarray, scipy_sparse_matrix, to_numpy
|
| 15 |
+
from sympy.physics.quantum.tensorproduct import TensorProduct, tensor_product_simp
|
| 16 |
+
from sympy.physics.quantum.trace import Tr
|
| 17 |
+
|
| 18 |
+
|
| 19 |
+
class Density(HermitianOperator):
|
| 20 |
+
"""Density operator for representing mixed states.
|
| 21 |
+
|
| 22 |
+
TODO: Density operator support for Qubits
|
| 23 |
+
|
| 24 |
+
Parameters
|
| 25 |
+
==========
|
| 26 |
+
|
| 27 |
+
values : tuples/lists
|
| 28 |
+
Each tuple/list should be of form (state, prob) or [state,prob]
|
| 29 |
+
|
| 30 |
+
Examples
|
| 31 |
+
========
|
| 32 |
+
|
| 33 |
+
Create a density operator with 2 states represented by Kets.
|
| 34 |
+
|
| 35 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 36 |
+
>>> from sympy.physics.quantum.density import Density
|
| 37 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 38 |
+
>>> d
|
| 39 |
+
Density((|0>, 0.5),(|1>, 0.5))
|
| 40 |
+
|
| 41 |
+
"""
|
| 42 |
+
@classmethod
|
| 43 |
+
def _eval_args(cls, args):
|
| 44 |
+
# call this to qsympify the args
|
| 45 |
+
args = super()._eval_args(args)
|
| 46 |
+
|
| 47 |
+
for arg in args:
|
| 48 |
+
# Check if arg is a tuple
|
| 49 |
+
if not (isinstance(arg, Tuple) and len(arg) == 2):
|
| 50 |
+
raise ValueError("Each argument should be of form [state,prob]"
|
| 51 |
+
" or ( state, prob )")
|
| 52 |
+
|
| 53 |
+
return args
|
| 54 |
+
|
| 55 |
+
def states(self):
|
| 56 |
+
"""Return list of all states.
|
| 57 |
+
|
| 58 |
+
Examples
|
| 59 |
+
========
|
| 60 |
+
|
| 61 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 62 |
+
>>> from sympy.physics.quantum.density import Density
|
| 63 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 64 |
+
>>> d.states()
|
| 65 |
+
(|0>, |1>)
|
| 66 |
+
|
| 67 |
+
"""
|
| 68 |
+
return Tuple(*[arg[0] for arg in self.args])
|
| 69 |
+
|
| 70 |
+
def probs(self):
|
| 71 |
+
"""Return list of all probabilities.
|
| 72 |
+
|
| 73 |
+
Examples
|
| 74 |
+
========
|
| 75 |
+
|
| 76 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 77 |
+
>>> from sympy.physics.quantum.density import Density
|
| 78 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 79 |
+
>>> d.probs()
|
| 80 |
+
(0.5, 0.5)
|
| 81 |
+
|
| 82 |
+
"""
|
| 83 |
+
return Tuple(*[arg[1] for arg in self.args])
|
| 84 |
+
|
| 85 |
+
def get_state(self, index):
|
| 86 |
+
"""Return specific state by index.
|
| 87 |
+
|
| 88 |
+
Parameters
|
| 89 |
+
==========
|
| 90 |
+
|
| 91 |
+
index : index of state to be returned
|
| 92 |
+
|
| 93 |
+
Examples
|
| 94 |
+
========
|
| 95 |
+
|
| 96 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 97 |
+
>>> from sympy.physics.quantum.density import Density
|
| 98 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 99 |
+
>>> d.states()[1]
|
| 100 |
+
|1>
|
| 101 |
+
|
| 102 |
+
"""
|
| 103 |
+
state = self.args[index][0]
|
| 104 |
+
return state
|
| 105 |
+
|
| 106 |
+
def get_prob(self, index):
|
| 107 |
+
"""Return probability of specific state by index.
|
| 108 |
+
|
| 109 |
+
Parameters
|
| 110 |
+
===========
|
| 111 |
+
|
| 112 |
+
index : index of states whose probability is returned.
|
| 113 |
+
|
| 114 |
+
Examples
|
| 115 |
+
========
|
| 116 |
+
|
| 117 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 118 |
+
>>> from sympy.physics.quantum.density import Density
|
| 119 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 120 |
+
>>> d.probs()[1]
|
| 121 |
+
0.500000000000000
|
| 122 |
+
|
| 123 |
+
"""
|
| 124 |
+
prob = self.args[index][1]
|
| 125 |
+
return prob
|
| 126 |
+
|
| 127 |
+
def apply_op(self, op):
|
| 128 |
+
"""op will operate on each individual state.
|
| 129 |
+
|
| 130 |
+
Parameters
|
| 131 |
+
==========
|
| 132 |
+
|
| 133 |
+
op : Operator
|
| 134 |
+
|
| 135 |
+
Examples
|
| 136 |
+
========
|
| 137 |
+
|
| 138 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 139 |
+
>>> from sympy.physics.quantum.density import Density
|
| 140 |
+
>>> from sympy.physics.quantum.operator import Operator
|
| 141 |
+
>>> A = Operator('A')
|
| 142 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 143 |
+
>>> d.apply_op(A)
|
| 144 |
+
Density((A*|0>, 0.5),(A*|1>, 0.5))
|
| 145 |
+
|
| 146 |
+
"""
|
| 147 |
+
new_args = [(op*state, prob) for (state, prob) in self.args]
|
| 148 |
+
return Density(*new_args)
|
| 149 |
+
|
| 150 |
+
def doit(self, **hints):
|
| 151 |
+
"""Expand the density operator into an outer product format.
|
| 152 |
+
|
| 153 |
+
Examples
|
| 154 |
+
========
|
| 155 |
+
|
| 156 |
+
>>> from sympy.physics.quantum.state import Ket
|
| 157 |
+
>>> from sympy.physics.quantum.density import Density
|
| 158 |
+
>>> from sympy.physics.quantum.operator import Operator
|
| 159 |
+
>>> A = Operator('A')
|
| 160 |
+
>>> d = Density([Ket(0), 0.5], [Ket(1),0.5])
|
| 161 |
+
>>> d.doit()
|
| 162 |
+
0.5*|0><0| + 0.5*|1><1|
|
| 163 |
+
|
| 164 |
+
"""
|
| 165 |
+
|
| 166 |
+
terms = []
|
| 167 |
+
for (state, prob) in self.args:
|
| 168 |
+
state = state.expand() # needed to break up (a+b)*c
|
| 169 |
+
if (isinstance(state, Add)):
|
| 170 |
+
for arg in product(state.args, repeat=2):
|
| 171 |
+
terms.append(prob*self._generate_outer_prod(arg[0],
|
| 172 |
+
arg[1]))
|
| 173 |
+
else:
|
| 174 |
+
terms.append(prob*self._generate_outer_prod(state, state))
|
| 175 |
+
|
| 176 |
+
return Add(*terms)
|
| 177 |
+
|
| 178 |
+
def _generate_outer_prod(self, arg1, arg2):
|
| 179 |
+
c_part1, nc_part1 = arg1.args_cnc()
|
| 180 |
+
c_part2, nc_part2 = arg2.args_cnc()
|
| 181 |
+
|
| 182 |
+
if (len(nc_part1) == 0 or len(nc_part2) == 0):
|
| 183 |
+
raise ValueError('Atleast one-pair of'
|
| 184 |
+
' Non-commutative instance required'
|
| 185 |
+
' for outer product.')
|
| 186 |
+
|
| 187 |
+
# Muls of Tensor Products should be expanded
|
| 188 |
+
# before this function is called
|
| 189 |
+
if (isinstance(nc_part1[0], TensorProduct) and len(nc_part1) == 1
|
| 190 |
+
and len(nc_part2) == 1):
|
| 191 |
+
op = tensor_product_simp(nc_part1[0]*Dagger(nc_part2[0]))
|
| 192 |
+
else:
|
| 193 |
+
op = Mul(*nc_part1)*Dagger(Mul(*nc_part2))
|
| 194 |
+
|
| 195 |
+
return Mul(*c_part1)*Mul(*c_part2) * op
|
| 196 |
+
|
| 197 |
+
def _represent(self, **options):
|
| 198 |
+
return represent(self.doit(), **options)
|
| 199 |
+
|
| 200 |
+
def _print_operator_name_latex(self, printer, *args):
|
| 201 |
+
return r'\rho'
|
| 202 |
+
|
| 203 |
+
def _print_operator_name_pretty(self, printer, *args):
|
| 204 |
+
return prettyForm('\N{GREEK SMALL LETTER RHO}')
|
| 205 |
+
|
| 206 |
+
def _eval_trace(self, **kwargs):
|
| 207 |
+
indices = kwargs.get('indices', [])
|
| 208 |
+
return Tr(self.doit(), indices).doit()
|
| 209 |
+
|
| 210 |
+
def entropy(self):
|
| 211 |
+
""" Compute the entropy of a density matrix.
|
| 212 |
+
|
| 213 |
+
Refer to density.entropy() method for examples.
|
| 214 |
+
"""
|
| 215 |
+
return entropy(self)
|
| 216 |
+
|
| 217 |
+
|
| 218 |
+
def entropy(density):
|
| 219 |
+
"""Compute the entropy of a matrix/density object.
|
| 220 |
+
|
| 221 |
+
This computes -Tr(density*ln(density)) using the eigenvalue decomposition
|
| 222 |
+
of density, which is given as either a Density instance or a matrix
|
| 223 |
+
(numpy.ndarray, sympy.Matrix or scipy.sparse).
|
| 224 |
+
|
| 225 |
+
Parameters
|
| 226 |
+
==========
|
| 227 |
+
|
| 228 |
+
density : density matrix of type Density, SymPy matrix,
|
| 229 |
+
scipy.sparse or numpy.ndarray
|
| 230 |
+
|
| 231 |
+
Examples
|
| 232 |
+
========
|
| 233 |
+
|
| 234 |
+
>>> from sympy.physics.quantum.density import Density, entropy
|
| 235 |
+
>>> from sympy.physics.quantum.spin import JzKet
|
| 236 |
+
>>> from sympy import S
|
| 237 |
+
>>> up = JzKet(S(1)/2,S(1)/2)
|
| 238 |
+
>>> down = JzKet(S(1)/2,-S(1)/2)
|
| 239 |
+
>>> d = Density((up,S(1)/2),(down,S(1)/2))
|
| 240 |
+
>>> entropy(d)
|
| 241 |
+
log(2)/2
|
| 242 |
+
|
| 243 |
+
"""
|
| 244 |
+
if isinstance(density, Density):
|
| 245 |
+
density = represent(density) # represent in Matrix
|
| 246 |
+
|
| 247 |
+
if isinstance(density, scipy_sparse_matrix):
|
| 248 |
+
density = to_numpy(density)
|
| 249 |
+
|
| 250 |
+
if isinstance(density, Matrix):
|
| 251 |
+
eigvals = density.eigenvals().keys()
|
| 252 |
+
return expand(-sum(e*log(e) for e in eigvals))
|
| 253 |
+
elif isinstance(density, numpy_ndarray):
|
| 254 |
+
import numpy as np
|
| 255 |
+
eigvals = np.linalg.eigvals(density)
|
| 256 |
+
return -np.sum(eigvals*np.log(eigvals))
|
| 257 |
+
else:
|
| 258 |
+
raise ValueError(
|
| 259 |
+
"numpy.ndarray, scipy.sparse or SymPy matrix expected")
|
| 260 |
+
|
| 261 |
+
|
| 262 |
+
def fidelity(state1, state2):
|
| 263 |
+
""" Computes the fidelity [1]_ between two quantum states
|
| 264 |
+
|
| 265 |
+
The arguments provided to this function should be a square matrix or a
|
| 266 |
+
Density object. If it is a square matrix, it is assumed to be diagonalizable.
|
| 267 |
+
|
| 268 |
+
Parameters
|
| 269 |
+
==========
|
| 270 |
+
|
| 271 |
+
state1, state2 : a density matrix or Matrix
|
| 272 |
+
|
| 273 |
+
|
| 274 |
+
Examples
|
| 275 |
+
========
|
| 276 |
+
|
| 277 |
+
>>> from sympy import S, sqrt
|
| 278 |
+
>>> from sympy.physics.quantum.dagger import Dagger
|
| 279 |
+
>>> from sympy.physics.quantum.spin import JzKet
|
| 280 |
+
>>> from sympy.physics.quantum.density import fidelity
|
| 281 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 282 |
+
>>>
|
| 283 |
+
>>> up = JzKet(S(1)/2,S(1)/2)
|
| 284 |
+
>>> down = JzKet(S(1)/2,-S(1)/2)
|
| 285 |
+
>>> amp = 1/sqrt(2)
|
| 286 |
+
>>> updown = (amp*up) + (amp*down)
|
| 287 |
+
>>>
|
| 288 |
+
>>> # represent turns Kets into matrices
|
| 289 |
+
>>> up_dm = represent(up*Dagger(up))
|
| 290 |
+
>>> down_dm = represent(down*Dagger(down))
|
| 291 |
+
>>> updown_dm = represent(updown*Dagger(updown))
|
| 292 |
+
>>>
|
| 293 |
+
>>> fidelity(up_dm, up_dm)
|
| 294 |
+
1
|
| 295 |
+
>>> fidelity(up_dm, down_dm) #orthogonal states
|
| 296 |
+
0
|
| 297 |
+
>>> fidelity(up_dm, updown_dm).evalf().round(3)
|
| 298 |
+
0.707
|
| 299 |
+
|
| 300 |
+
References
|
| 301 |
+
==========
|
| 302 |
+
|
| 303 |
+
.. [1] https://en.wikipedia.org/wiki/Fidelity_of_quantum_states
|
| 304 |
+
|
| 305 |
+
"""
|
| 306 |
+
state1 = represent(state1) if isinstance(state1, Density) else state1
|
| 307 |
+
state2 = represent(state2) if isinstance(state2, Density) else state2
|
| 308 |
+
|
| 309 |
+
if not isinstance(state1, Matrix) or not isinstance(state2, Matrix):
|
| 310 |
+
raise ValueError("state1 and state2 must be of type Density or Matrix "
|
| 311 |
+
"received type=%s for state1 and type=%s for state2" %
|
| 312 |
+
(type(state1), type(state2)))
|
| 313 |
+
|
| 314 |
+
if state1.shape != state2.shape and state1.is_square:
|
| 315 |
+
raise ValueError("The dimensions of both args should be equal and the "
|
| 316 |
+
"matrix obtained should be a square matrix")
|
| 317 |
+
|
| 318 |
+
sqrt_state1 = state1**S.Half
|
| 319 |
+
return Tr((sqrt_state1*state2*sqrt_state1)**S.Half).doit()
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/gate.py
ADDED
|
@@ -0,0 +1,1309 @@
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|
| 1 |
+
"""An implementation of gates that act on qubits.
|
| 2 |
+
|
| 3 |
+
Gates are unitary operators that act on the space of qubits.
|
| 4 |
+
|
| 5 |
+
Medium Term Todo:
|
| 6 |
+
|
| 7 |
+
* Optimize Gate._apply_operators_Qubit to remove the creation of many
|
| 8 |
+
intermediate Qubit objects.
|
| 9 |
+
* Add commutation relationships to all operators and use this in gate_sort.
|
| 10 |
+
* Fix gate_sort and gate_simp.
|
| 11 |
+
* Get multi-target UGates plotting properly.
|
| 12 |
+
* Get UGate to work with either sympy/numpy matrices and output either
|
| 13 |
+
format. This should also use the matrix slots.
|
| 14 |
+
"""
|
| 15 |
+
|
| 16 |
+
from itertools import chain
|
| 17 |
+
import random
|
| 18 |
+
|
| 19 |
+
from sympy.core.add import Add
|
| 20 |
+
from sympy.core.containers import Tuple
|
| 21 |
+
from sympy.core.mul import Mul
|
| 22 |
+
from sympy.core.numbers import (I, Integer)
|
| 23 |
+
from sympy.core.power import Pow
|
| 24 |
+
from sympy.core.numbers import Number
|
| 25 |
+
from sympy.core.singleton import S as _S
|
| 26 |
+
from sympy.core.sorting import default_sort_key
|
| 27 |
+
from sympy.core.sympify import _sympify
|
| 28 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 29 |
+
from sympy.printing.pretty.stringpict import prettyForm, stringPict
|
| 30 |
+
|
| 31 |
+
from sympy.physics.quantum.anticommutator import AntiCommutator
|
| 32 |
+
from sympy.physics.quantum.commutator import Commutator
|
| 33 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 34 |
+
from sympy.physics.quantum.hilbert import ComplexSpace
|
| 35 |
+
from sympy.physics.quantum.operator import (UnitaryOperator, Operator,
|
| 36 |
+
HermitianOperator)
|
| 37 |
+
from sympy.physics.quantum.matrixutils import matrix_tensor_product, matrix_eye
|
| 38 |
+
from sympy.physics.quantum.matrixcache import matrix_cache
|
| 39 |
+
|
| 40 |
+
from sympy.matrices.matrixbase import MatrixBase
|
| 41 |
+
|
| 42 |
+
from sympy.utilities.iterables import is_sequence
|
| 43 |
+
|
| 44 |
+
__all__ = [
|
| 45 |
+
'Gate',
|
| 46 |
+
'CGate',
|
| 47 |
+
'UGate',
|
| 48 |
+
'OneQubitGate',
|
| 49 |
+
'TwoQubitGate',
|
| 50 |
+
'IdentityGate',
|
| 51 |
+
'HadamardGate',
|
| 52 |
+
'XGate',
|
| 53 |
+
'YGate',
|
| 54 |
+
'ZGate',
|
| 55 |
+
'TGate',
|
| 56 |
+
'PhaseGate',
|
| 57 |
+
'SwapGate',
|
| 58 |
+
'CNotGate',
|
| 59 |
+
# Aliased gate names
|
| 60 |
+
'CNOT',
|
| 61 |
+
'SWAP',
|
| 62 |
+
'H',
|
| 63 |
+
'X',
|
| 64 |
+
'Y',
|
| 65 |
+
'Z',
|
| 66 |
+
'T',
|
| 67 |
+
'S',
|
| 68 |
+
'Phase',
|
| 69 |
+
'normalized',
|
| 70 |
+
'gate_sort',
|
| 71 |
+
'gate_simp',
|
| 72 |
+
'random_circuit',
|
| 73 |
+
'CPHASE',
|
| 74 |
+
'CGateS',
|
| 75 |
+
]
|
| 76 |
+
|
| 77 |
+
#-----------------------------------------------------------------------------
|
| 78 |
+
# Gate Super-Classes
|
| 79 |
+
#-----------------------------------------------------------------------------
|
| 80 |
+
|
| 81 |
+
_normalized = True
|
| 82 |
+
|
| 83 |
+
|
| 84 |
+
def _max(*args, **kwargs):
|
| 85 |
+
if "key" not in kwargs:
|
| 86 |
+
kwargs["key"] = default_sort_key
|
| 87 |
+
return max(*args, **kwargs)
|
| 88 |
+
|
| 89 |
+
|
| 90 |
+
def _min(*args, **kwargs):
|
| 91 |
+
if "key" not in kwargs:
|
| 92 |
+
kwargs["key"] = default_sort_key
|
| 93 |
+
return min(*args, **kwargs)
|
| 94 |
+
|
| 95 |
+
|
| 96 |
+
def normalized(normalize):
|
| 97 |
+
r"""Set flag controlling normalization of Hadamard gates by `1/\sqrt{2}`.
|
| 98 |
+
|
| 99 |
+
This is a global setting that can be used to simplify the look of various
|
| 100 |
+
expressions, by leaving off the leading `1/\sqrt{2}` of the Hadamard gate.
|
| 101 |
+
|
| 102 |
+
Parameters
|
| 103 |
+
----------
|
| 104 |
+
normalize : bool
|
| 105 |
+
Should the Hadamard gate include the `1/\sqrt{2}` normalization factor?
|
| 106 |
+
When True, the Hadamard gate will have the `1/\sqrt{2}`. When False, the
|
| 107 |
+
Hadamard gate will not have this factor.
|
| 108 |
+
"""
|
| 109 |
+
global _normalized
|
| 110 |
+
_normalized = normalize
|
| 111 |
+
|
| 112 |
+
|
| 113 |
+
def _validate_targets_controls(tandc):
|
| 114 |
+
tandc = list(tandc)
|
| 115 |
+
# Check for integers
|
| 116 |
+
for bit in tandc:
|
| 117 |
+
if not bit.is_Integer and not bit.is_Symbol:
|
| 118 |
+
raise TypeError('Integer expected, got: %r' % tandc[bit])
|
| 119 |
+
# Detect duplicates
|
| 120 |
+
if len(set(tandc)) != len(tandc):
|
| 121 |
+
raise QuantumError(
|
| 122 |
+
'Target/control qubits in a gate cannot be duplicated'
|
| 123 |
+
)
|
| 124 |
+
|
| 125 |
+
|
| 126 |
+
class Gate(UnitaryOperator):
|
| 127 |
+
"""Non-controlled unitary gate operator that acts on qubits.
|
| 128 |
+
|
| 129 |
+
This is a general abstract gate that needs to be subclassed to do anything
|
| 130 |
+
useful.
|
| 131 |
+
|
| 132 |
+
Parameters
|
| 133 |
+
----------
|
| 134 |
+
label : tuple, int
|
| 135 |
+
A list of the target qubits (as ints) that the gate will apply to.
|
| 136 |
+
|
| 137 |
+
Examples
|
| 138 |
+
========
|
| 139 |
+
|
| 140 |
+
|
| 141 |
+
"""
|
| 142 |
+
|
| 143 |
+
_label_separator = ','
|
| 144 |
+
|
| 145 |
+
gate_name = 'G'
|
| 146 |
+
gate_name_latex = 'G'
|
| 147 |
+
|
| 148 |
+
#-------------------------------------------------------------------------
|
| 149 |
+
# Initialization/creation
|
| 150 |
+
#-------------------------------------------------------------------------
|
| 151 |
+
|
| 152 |
+
@classmethod
|
| 153 |
+
def _eval_args(cls, args):
|
| 154 |
+
args = Tuple(*UnitaryOperator._eval_args(args))
|
| 155 |
+
_validate_targets_controls(args)
|
| 156 |
+
return args
|
| 157 |
+
|
| 158 |
+
@classmethod
|
| 159 |
+
def _eval_hilbert_space(cls, args):
|
| 160 |
+
"""This returns the smallest possible Hilbert space."""
|
| 161 |
+
return ComplexSpace(2)**(_max(args) + 1)
|
| 162 |
+
|
| 163 |
+
#-------------------------------------------------------------------------
|
| 164 |
+
# Properties
|
| 165 |
+
#-------------------------------------------------------------------------
|
| 166 |
+
|
| 167 |
+
@property
|
| 168 |
+
def nqubits(self):
|
| 169 |
+
"""The total number of qubits this gate acts on.
|
| 170 |
+
|
| 171 |
+
For controlled gate subclasses this includes both target and control
|
| 172 |
+
qubits, so that, for examples the CNOT gate acts on 2 qubits.
|
| 173 |
+
"""
|
| 174 |
+
return len(self.targets)
|
| 175 |
+
|
| 176 |
+
@property
|
| 177 |
+
def min_qubits(self):
|
| 178 |
+
"""The minimum number of qubits this gate needs to act on."""
|
| 179 |
+
return _max(self.targets) + 1
|
| 180 |
+
|
| 181 |
+
@property
|
| 182 |
+
def targets(self):
|
| 183 |
+
"""A tuple of target qubits."""
|
| 184 |
+
return self.label
|
| 185 |
+
|
| 186 |
+
@property
|
| 187 |
+
def gate_name_plot(self):
|
| 188 |
+
return r'$%s$' % self.gate_name_latex
|
| 189 |
+
|
| 190 |
+
#-------------------------------------------------------------------------
|
| 191 |
+
# Gate methods
|
| 192 |
+
#-------------------------------------------------------------------------
|
| 193 |
+
|
| 194 |
+
def get_target_matrix(self, format='sympy'):
|
| 195 |
+
"""The matrix representation of the target part of the gate.
|
| 196 |
+
|
| 197 |
+
Parameters
|
| 198 |
+
----------
|
| 199 |
+
format : str
|
| 200 |
+
The format string ('sympy','numpy', etc.)
|
| 201 |
+
"""
|
| 202 |
+
raise NotImplementedError(
|
| 203 |
+
'get_target_matrix is not implemented in Gate.')
|
| 204 |
+
|
| 205 |
+
#-------------------------------------------------------------------------
|
| 206 |
+
# Apply
|
| 207 |
+
#-------------------------------------------------------------------------
|
| 208 |
+
|
| 209 |
+
def _apply_operator_IntQubit(self, qubits, **options):
|
| 210 |
+
"""Redirect an apply from IntQubit to Qubit"""
|
| 211 |
+
return self._apply_operator_Qubit(qubits, **options)
|
| 212 |
+
|
| 213 |
+
def _apply_operator_Qubit(self, qubits, **options):
|
| 214 |
+
"""Apply this gate to a Qubit."""
|
| 215 |
+
|
| 216 |
+
# Check number of qubits this gate acts on.
|
| 217 |
+
if qubits.nqubits < self.min_qubits:
|
| 218 |
+
raise QuantumError(
|
| 219 |
+
'Gate needs a minimum of %r qubits to act on, got: %r' %
|
| 220 |
+
(self.min_qubits, qubits.nqubits)
|
| 221 |
+
)
|
| 222 |
+
|
| 223 |
+
# If the controls are not met, just return
|
| 224 |
+
if isinstance(self, CGate):
|
| 225 |
+
if not self.eval_controls(qubits):
|
| 226 |
+
return qubits
|
| 227 |
+
|
| 228 |
+
targets = self.targets
|
| 229 |
+
target_matrix = self.get_target_matrix(format='sympy')
|
| 230 |
+
|
| 231 |
+
# Find which column of the target matrix this applies to.
|
| 232 |
+
column_index = 0
|
| 233 |
+
n = 1
|
| 234 |
+
for target in targets:
|
| 235 |
+
column_index += n*qubits[target]
|
| 236 |
+
n = n << 1
|
| 237 |
+
column = target_matrix[:, int(column_index)]
|
| 238 |
+
|
| 239 |
+
# Now apply each column element to the qubit.
|
| 240 |
+
result = 0
|
| 241 |
+
for index in range(column.rows):
|
| 242 |
+
# TODO: This can be optimized to reduce the number of Qubit
|
| 243 |
+
# creations. We should simply manipulate the raw list of qubit
|
| 244 |
+
# values and then build the new Qubit object once.
|
| 245 |
+
# Make a copy of the incoming qubits.
|
| 246 |
+
new_qubit = qubits.__class__(*qubits.args)
|
| 247 |
+
# Flip the bits that need to be flipped.
|
| 248 |
+
for bit, target in enumerate(targets):
|
| 249 |
+
if new_qubit[target] != (index >> bit) & 1:
|
| 250 |
+
new_qubit = new_qubit.flip(target)
|
| 251 |
+
# The value in that row and column times the flipped-bit qubit
|
| 252 |
+
# is the result for that part.
|
| 253 |
+
result += column[index]*new_qubit
|
| 254 |
+
return result
|
| 255 |
+
|
| 256 |
+
#-------------------------------------------------------------------------
|
| 257 |
+
# Represent
|
| 258 |
+
#-------------------------------------------------------------------------
|
| 259 |
+
|
| 260 |
+
def _represent_default_basis(self, **options):
|
| 261 |
+
return self._represent_ZGate(None, **options)
|
| 262 |
+
|
| 263 |
+
def _represent_ZGate(self, basis, **options):
|
| 264 |
+
format = options.get('format', 'sympy')
|
| 265 |
+
nqubits = options.get('nqubits', 0)
|
| 266 |
+
if nqubits == 0:
|
| 267 |
+
raise QuantumError(
|
| 268 |
+
'The number of qubits must be given as nqubits.')
|
| 269 |
+
|
| 270 |
+
# Make sure we have enough qubits for the gate.
|
| 271 |
+
if nqubits < self.min_qubits:
|
| 272 |
+
raise QuantumError(
|
| 273 |
+
'The number of qubits %r is too small for the gate.' % nqubits
|
| 274 |
+
)
|
| 275 |
+
|
| 276 |
+
target_matrix = self.get_target_matrix(format)
|
| 277 |
+
targets = self.targets
|
| 278 |
+
if isinstance(self, CGate):
|
| 279 |
+
controls = self.controls
|
| 280 |
+
else:
|
| 281 |
+
controls = []
|
| 282 |
+
m = represent_zbasis(
|
| 283 |
+
controls, targets, target_matrix, nqubits, format
|
| 284 |
+
)
|
| 285 |
+
return m
|
| 286 |
+
|
| 287 |
+
#-------------------------------------------------------------------------
|
| 288 |
+
# Print methods
|
| 289 |
+
#-------------------------------------------------------------------------
|
| 290 |
+
|
| 291 |
+
def _sympystr(self, printer, *args):
|
| 292 |
+
label = self._print_label(printer, *args)
|
| 293 |
+
return '%s(%s)' % (self.gate_name, label)
|
| 294 |
+
|
| 295 |
+
def _pretty(self, printer, *args):
|
| 296 |
+
a = stringPict(self.gate_name)
|
| 297 |
+
b = self._print_label_pretty(printer, *args)
|
| 298 |
+
return self._print_subscript_pretty(a, b)
|
| 299 |
+
|
| 300 |
+
def _latex(self, printer, *args):
|
| 301 |
+
label = self._print_label(printer, *args)
|
| 302 |
+
return '%s_{%s}' % (self.gate_name_latex, label)
|
| 303 |
+
|
| 304 |
+
def plot_gate(self, axes, gate_idx, gate_grid, wire_grid):
|
| 305 |
+
raise NotImplementedError('plot_gate is not implemented.')
|
| 306 |
+
|
| 307 |
+
|
| 308 |
+
class CGate(Gate):
|
| 309 |
+
"""A general unitary gate with control qubits.
|
| 310 |
+
|
| 311 |
+
A general control gate applies a target gate to a set of targets if all
|
| 312 |
+
of the control qubits have a particular values (set by
|
| 313 |
+
``CGate.control_value``).
|
| 314 |
+
|
| 315 |
+
Parameters
|
| 316 |
+
----------
|
| 317 |
+
label : tuple
|
| 318 |
+
The label in this case has the form (controls, gate), where controls
|
| 319 |
+
is a tuple/list of control qubits (as ints) and gate is a ``Gate``
|
| 320 |
+
instance that is the target operator.
|
| 321 |
+
|
| 322 |
+
Examples
|
| 323 |
+
========
|
| 324 |
+
|
| 325 |
+
"""
|
| 326 |
+
|
| 327 |
+
gate_name = 'C'
|
| 328 |
+
gate_name_latex = 'C'
|
| 329 |
+
|
| 330 |
+
# The values this class controls for.
|
| 331 |
+
control_value = _S.One
|
| 332 |
+
|
| 333 |
+
simplify_cgate = False
|
| 334 |
+
|
| 335 |
+
#-------------------------------------------------------------------------
|
| 336 |
+
# Initialization
|
| 337 |
+
#-------------------------------------------------------------------------
|
| 338 |
+
|
| 339 |
+
@classmethod
|
| 340 |
+
def _eval_args(cls, args):
|
| 341 |
+
# _eval_args has the right logic for the controls argument.
|
| 342 |
+
controls = args[0]
|
| 343 |
+
gate = args[1]
|
| 344 |
+
if not is_sequence(controls):
|
| 345 |
+
controls = (controls,)
|
| 346 |
+
controls = UnitaryOperator._eval_args(controls)
|
| 347 |
+
_validate_targets_controls(chain(controls, gate.targets))
|
| 348 |
+
return (Tuple(*controls), gate)
|
| 349 |
+
|
| 350 |
+
@classmethod
|
| 351 |
+
def _eval_hilbert_space(cls, args):
|
| 352 |
+
"""This returns the smallest possible Hilbert space."""
|
| 353 |
+
return ComplexSpace(2)**_max(_max(args[0]) + 1, args[1].min_qubits)
|
| 354 |
+
|
| 355 |
+
#-------------------------------------------------------------------------
|
| 356 |
+
# Properties
|
| 357 |
+
#-------------------------------------------------------------------------
|
| 358 |
+
|
| 359 |
+
@property
|
| 360 |
+
def nqubits(self):
|
| 361 |
+
"""The total number of qubits this gate acts on.
|
| 362 |
+
|
| 363 |
+
For controlled gate subclasses this includes both target and control
|
| 364 |
+
qubits, so that, for examples the CNOT gate acts on 2 qubits.
|
| 365 |
+
"""
|
| 366 |
+
return len(self.targets) + len(self.controls)
|
| 367 |
+
|
| 368 |
+
@property
|
| 369 |
+
def min_qubits(self):
|
| 370 |
+
"""The minimum number of qubits this gate needs to act on."""
|
| 371 |
+
return _max(_max(self.controls), _max(self.targets)) + 1
|
| 372 |
+
|
| 373 |
+
@property
|
| 374 |
+
def targets(self):
|
| 375 |
+
"""A tuple of target qubits."""
|
| 376 |
+
return self.gate.targets
|
| 377 |
+
|
| 378 |
+
@property
|
| 379 |
+
def controls(self):
|
| 380 |
+
"""A tuple of control qubits."""
|
| 381 |
+
return tuple(self.label[0])
|
| 382 |
+
|
| 383 |
+
@property
|
| 384 |
+
def gate(self):
|
| 385 |
+
"""The non-controlled gate that will be applied to the targets."""
|
| 386 |
+
return self.label[1]
|
| 387 |
+
|
| 388 |
+
#-------------------------------------------------------------------------
|
| 389 |
+
# Gate methods
|
| 390 |
+
#-------------------------------------------------------------------------
|
| 391 |
+
|
| 392 |
+
def get_target_matrix(self, format='sympy'):
|
| 393 |
+
return self.gate.get_target_matrix(format)
|
| 394 |
+
|
| 395 |
+
def eval_controls(self, qubit):
|
| 396 |
+
"""Return True/False to indicate if the controls are satisfied."""
|
| 397 |
+
return all(qubit[bit] == self.control_value for bit in self.controls)
|
| 398 |
+
|
| 399 |
+
def decompose(self, **options):
|
| 400 |
+
"""Decompose the controlled gate into CNOT and single qubits gates."""
|
| 401 |
+
if len(self.controls) == 1:
|
| 402 |
+
c = self.controls[0]
|
| 403 |
+
t = self.gate.targets[0]
|
| 404 |
+
if isinstance(self.gate, YGate):
|
| 405 |
+
g1 = PhaseGate(t)
|
| 406 |
+
g2 = CNotGate(c, t)
|
| 407 |
+
g3 = PhaseGate(t)
|
| 408 |
+
g4 = ZGate(t)
|
| 409 |
+
return g1*g2*g3*g4
|
| 410 |
+
if isinstance(self.gate, ZGate):
|
| 411 |
+
g1 = HadamardGate(t)
|
| 412 |
+
g2 = CNotGate(c, t)
|
| 413 |
+
g3 = HadamardGate(t)
|
| 414 |
+
return g1*g2*g3
|
| 415 |
+
else:
|
| 416 |
+
return self
|
| 417 |
+
|
| 418 |
+
#-------------------------------------------------------------------------
|
| 419 |
+
# Print methods
|
| 420 |
+
#-------------------------------------------------------------------------
|
| 421 |
+
|
| 422 |
+
def _print_label(self, printer, *args):
|
| 423 |
+
controls = self._print_sequence(self.controls, ',', printer, *args)
|
| 424 |
+
gate = printer._print(self.gate, *args)
|
| 425 |
+
return '(%s),%s' % (controls, gate)
|
| 426 |
+
|
| 427 |
+
def _pretty(self, printer, *args):
|
| 428 |
+
controls = self._print_sequence_pretty(
|
| 429 |
+
self.controls, ',', printer, *args)
|
| 430 |
+
gate = printer._print(self.gate)
|
| 431 |
+
gate_name = stringPict(self.gate_name)
|
| 432 |
+
first = self._print_subscript_pretty(gate_name, controls)
|
| 433 |
+
gate = self._print_parens_pretty(gate)
|
| 434 |
+
final = prettyForm(*first.right(gate))
|
| 435 |
+
return final
|
| 436 |
+
|
| 437 |
+
def _latex(self, printer, *args):
|
| 438 |
+
controls = self._print_sequence(self.controls, ',', printer, *args)
|
| 439 |
+
gate = printer._print(self.gate, *args)
|
| 440 |
+
return r'%s_{%s}{\left(%s\right)}' % \
|
| 441 |
+
(self.gate_name_latex, controls, gate)
|
| 442 |
+
|
| 443 |
+
def plot_gate(self, circ_plot, gate_idx):
|
| 444 |
+
"""
|
| 445 |
+
Plot the controlled gate. If *simplify_cgate* is true, simplify
|
| 446 |
+
C-X and C-Z gates into their more familiar forms.
|
| 447 |
+
"""
|
| 448 |
+
min_wire = int(_min(chain(self.controls, self.targets)))
|
| 449 |
+
max_wire = int(_max(chain(self.controls, self.targets)))
|
| 450 |
+
circ_plot.control_line(gate_idx, min_wire, max_wire)
|
| 451 |
+
for c in self.controls:
|
| 452 |
+
circ_plot.control_point(gate_idx, int(c))
|
| 453 |
+
if self.simplify_cgate:
|
| 454 |
+
if self.gate.gate_name == 'X':
|
| 455 |
+
self.gate.plot_gate_plus(circ_plot, gate_idx)
|
| 456 |
+
elif self.gate.gate_name == 'Z':
|
| 457 |
+
circ_plot.control_point(gate_idx, self.targets[0])
|
| 458 |
+
else:
|
| 459 |
+
self.gate.plot_gate(circ_plot, gate_idx)
|
| 460 |
+
else:
|
| 461 |
+
self.gate.plot_gate(circ_plot, gate_idx)
|
| 462 |
+
|
| 463 |
+
#-------------------------------------------------------------------------
|
| 464 |
+
# Miscellaneous
|
| 465 |
+
#-------------------------------------------------------------------------
|
| 466 |
+
|
| 467 |
+
def _eval_dagger(self):
|
| 468 |
+
if isinstance(self.gate, HermitianOperator):
|
| 469 |
+
return self
|
| 470 |
+
else:
|
| 471 |
+
return Gate._eval_dagger(self)
|
| 472 |
+
|
| 473 |
+
def _eval_inverse(self):
|
| 474 |
+
if isinstance(self.gate, HermitianOperator):
|
| 475 |
+
return self
|
| 476 |
+
else:
|
| 477 |
+
return Gate._eval_inverse(self)
|
| 478 |
+
|
| 479 |
+
def _eval_power(self, exp):
|
| 480 |
+
if isinstance(self.gate, HermitianOperator):
|
| 481 |
+
if exp == -1:
|
| 482 |
+
return Gate._eval_power(self, exp)
|
| 483 |
+
elif abs(exp) % 2 == 0:
|
| 484 |
+
return self*(Gate._eval_inverse(self))
|
| 485 |
+
else:
|
| 486 |
+
return self
|
| 487 |
+
else:
|
| 488 |
+
return Gate._eval_power(self, exp)
|
| 489 |
+
|
| 490 |
+
class CGateS(CGate):
|
| 491 |
+
"""Version of CGate that allows gate simplifications.
|
| 492 |
+
I.e. cnot looks like an oplus, cphase has dots, etc.
|
| 493 |
+
"""
|
| 494 |
+
simplify_cgate=True
|
| 495 |
+
|
| 496 |
+
|
| 497 |
+
class UGate(Gate):
|
| 498 |
+
"""General gate specified by a set of targets and a target matrix.
|
| 499 |
+
|
| 500 |
+
Parameters
|
| 501 |
+
----------
|
| 502 |
+
label : tuple
|
| 503 |
+
A tuple of the form (targets, U), where targets is a tuple of the
|
| 504 |
+
target qubits and U is a unitary matrix with dimension of
|
| 505 |
+
len(targets).
|
| 506 |
+
"""
|
| 507 |
+
gate_name = 'U'
|
| 508 |
+
gate_name_latex = 'U'
|
| 509 |
+
|
| 510 |
+
#-------------------------------------------------------------------------
|
| 511 |
+
# Initialization
|
| 512 |
+
#-------------------------------------------------------------------------
|
| 513 |
+
|
| 514 |
+
@classmethod
|
| 515 |
+
def _eval_args(cls, args):
|
| 516 |
+
targets = args[0]
|
| 517 |
+
if not is_sequence(targets):
|
| 518 |
+
targets = (targets,)
|
| 519 |
+
targets = Gate._eval_args(targets)
|
| 520 |
+
_validate_targets_controls(targets)
|
| 521 |
+
mat = args[1]
|
| 522 |
+
if not isinstance(mat, MatrixBase):
|
| 523 |
+
raise TypeError('Matrix expected, got: %r' % mat)
|
| 524 |
+
#make sure this matrix is of a Basic type
|
| 525 |
+
mat = _sympify(mat)
|
| 526 |
+
dim = 2**len(targets)
|
| 527 |
+
if not all(dim == shape for shape in mat.shape):
|
| 528 |
+
raise IndexError(
|
| 529 |
+
'Number of targets must match the matrix size: %r %r' %
|
| 530 |
+
(targets, mat)
|
| 531 |
+
)
|
| 532 |
+
return (targets, mat)
|
| 533 |
+
|
| 534 |
+
@classmethod
|
| 535 |
+
def _eval_hilbert_space(cls, args):
|
| 536 |
+
"""This returns the smallest possible Hilbert space."""
|
| 537 |
+
return ComplexSpace(2)**(_max(args[0]) + 1)
|
| 538 |
+
|
| 539 |
+
#-------------------------------------------------------------------------
|
| 540 |
+
# Properties
|
| 541 |
+
#-------------------------------------------------------------------------
|
| 542 |
+
|
| 543 |
+
@property
|
| 544 |
+
def targets(self):
|
| 545 |
+
"""A tuple of target qubits."""
|
| 546 |
+
return tuple(self.label[0])
|
| 547 |
+
|
| 548 |
+
#-------------------------------------------------------------------------
|
| 549 |
+
# Gate methods
|
| 550 |
+
#-------------------------------------------------------------------------
|
| 551 |
+
|
| 552 |
+
def get_target_matrix(self, format='sympy'):
|
| 553 |
+
"""The matrix rep. of the target part of the gate.
|
| 554 |
+
|
| 555 |
+
Parameters
|
| 556 |
+
----------
|
| 557 |
+
format : str
|
| 558 |
+
The format string ('sympy','numpy', etc.)
|
| 559 |
+
"""
|
| 560 |
+
return self.label[1]
|
| 561 |
+
|
| 562 |
+
#-------------------------------------------------------------------------
|
| 563 |
+
# Print methods
|
| 564 |
+
#-------------------------------------------------------------------------
|
| 565 |
+
def _pretty(self, printer, *args):
|
| 566 |
+
targets = self._print_sequence_pretty(
|
| 567 |
+
self.targets, ',', printer, *args)
|
| 568 |
+
gate_name = stringPict(self.gate_name)
|
| 569 |
+
return self._print_subscript_pretty(gate_name, targets)
|
| 570 |
+
|
| 571 |
+
def _latex(self, printer, *args):
|
| 572 |
+
targets = self._print_sequence(self.targets, ',', printer, *args)
|
| 573 |
+
return r'%s_{%s}' % (self.gate_name_latex, targets)
|
| 574 |
+
|
| 575 |
+
def plot_gate(self, circ_plot, gate_idx):
|
| 576 |
+
circ_plot.one_qubit_box(
|
| 577 |
+
self.gate_name_plot,
|
| 578 |
+
gate_idx, int(self.targets[0])
|
| 579 |
+
)
|
| 580 |
+
|
| 581 |
+
|
| 582 |
+
class OneQubitGate(Gate):
|
| 583 |
+
"""A single qubit unitary gate base class."""
|
| 584 |
+
|
| 585 |
+
nqubits = _S.One
|
| 586 |
+
|
| 587 |
+
def plot_gate(self, circ_plot, gate_idx):
|
| 588 |
+
circ_plot.one_qubit_box(
|
| 589 |
+
self.gate_name_plot,
|
| 590 |
+
gate_idx, int(self.targets[0])
|
| 591 |
+
)
|
| 592 |
+
|
| 593 |
+
def _eval_commutator(self, other, **hints):
|
| 594 |
+
if isinstance(other, OneQubitGate):
|
| 595 |
+
if self.targets != other.targets or self.__class__ == other.__class__:
|
| 596 |
+
return _S.Zero
|
| 597 |
+
return Operator._eval_commutator(self, other, **hints)
|
| 598 |
+
|
| 599 |
+
def _eval_anticommutator(self, other, **hints):
|
| 600 |
+
if isinstance(other, OneQubitGate):
|
| 601 |
+
if self.targets != other.targets or self.__class__ == other.__class__:
|
| 602 |
+
return Integer(2)*self*other
|
| 603 |
+
return Operator._eval_anticommutator(self, other, **hints)
|
| 604 |
+
|
| 605 |
+
|
| 606 |
+
class TwoQubitGate(Gate):
|
| 607 |
+
"""A two qubit unitary gate base class."""
|
| 608 |
+
|
| 609 |
+
nqubits = Integer(2)
|
| 610 |
+
|
| 611 |
+
#-----------------------------------------------------------------------------
|
| 612 |
+
# Single Qubit Gates
|
| 613 |
+
#-----------------------------------------------------------------------------
|
| 614 |
+
|
| 615 |
+
|
| 616 |
+
class IdentityGate(OneQubitGate):
|
| 617 |
+
"""The single qubit identity gate.
|
| 618 |
+
|
| 619 |
+
Parameters
|
| 620 |
+
----------
|
| 621 |
+
target : int
|
| 622 |
+
The target qubit this gate will apply to.
|
| 623 |
+
|
| 624 |
+
Examples
|
| 625 |
+
========
|
| 626 |
+
|
| 627 |
+
"""
|
| 628 |
+
is_hermitian = True
|
| 629 |
+
gate_name = '1'
|
| 630 |
+
gate_name_latex = '1'
|
| 631 |
+
|
| 632 |
+
# Short cut version of gate._apply_operator_Qubit
|
| 633 |
+
def _apply_operator_Qubit(self, qubits, **options):
|
| 634 |
+
# Check number of qubits this gate acts on (see gate._apply_operator_Qubit)
|
| 635 |
+
if qubits.nqubits < self.min_qubits:
|
| 636 |
+
raise QuantumError(
|
| 637 |
+
'Gate needs a minimum of %r qubits to act on, got: %r' %
|
| 638 |
+
(self.min_qubits, qubits.nqubits)
|
| 639 |
+
)
|
| 640 |
+
return qubits # no computation required for IdentityGate
|
| 641 |
+
|
| 642 |
+
def get_target_matrix(self, format='sympy'):
|
| 643 |
+
return matrix_cache.get_matrix('eye2', format)
|
| 644 |
+
|
| 645 |
+
def _eval_commutator(self, other, **hints):
|
| 646 |
+
return _S.Zero
|
| 647 |
+
|
| 648 |
+
def _eval_anticommutator(self, other, **hints):
|
| 649 |
+
return Integer(2)*other
|
| 650 |
+
|
| 651 |
+
|
| 652 |
+
class HadamardGate(HermitianOperator, OneQubitGate):
|
| 653 |
+
"""The single qubit Hadamard gate.
|
| 654 |
+
|
| 655 |
+
Parameters
|
| 656 |
+
----------
|
| 657 |
+
target : int
|
| 658 |
+
The target qubit this gate will apply to.
|
| 659 |
+
|
| 660 |
+
Examples
|
| 661 |
+
========
|
| 662 |
+
|
| 663 |
+
>>> from sympy import sqrt
|
| 664 |
+
>>> from sympy.physics.quantum.qubit import Qubit
|
| 665 |
+
>>> from sympy.physics.quantum.gate import HadamardGate
|
| 666 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 667 |
+
>>> qapply(HadamardGate(0)*Qubit('1'))
|
| 668 |
+
sqrt(2)*|0>/2 - sqrt(2)*|1>/2
|
| 669 |
+
>>> # Hadamard on bell state, applied on 2 qubits.
|
| 670 |
+
>>> psi = 1/sqrt(2)*(Qubit('00')+Qubit('11'))
|
| 671 |
+
>>> qapply(HadamardGate(0)*HadamardGate(1)*psi)
|
| 672 |
+
sqrt(2)*|00>/2 + sqrt(2)*|11>/2
|
| 673 |
+
|
| 674 |
+
"""
|
| 675 |
+
gate_name = 'H'
|
| 676 |
+
gate_name_latex = 'H'
|
| 677 |
+
|
| 678 |
+
def get_target_matrix(self, format='sympy'):
|
| 679 |
+
if _normalized:
|
| 680 |
+
return matrix_cache.get_matrix('H', format)
|
| 681 |
+
else:
|
| 682 |
+
return matrix_cache.get_matrix('Hsqrt2', format)
|
| 683 |
+
|
| 684 |
+
def _eval_commutator_XGate(self, other, **hints):
|
| 685 |
+
return I*sqrt(2)*YGate(self.targets[0])
|
| 686 |
+
|
| 687 |
+
def _eval_commutator_YGate(self, other, **hints):
|
| 688 |
+
return I*sqrt(2)*(ZGate(self.targets[0]) - XGate(self.targets[0]))
|
| 689 |
+
|
| 690 |
+
def _eval_commutator_ZGate(self, other, **hints):
|
| 691 |
+
return -I*sqrt(2)*YGate(self.targets[0])
|
| 692 |
+
|
| 693 |
+
def _eval_anticommutator_XGate(self, other, **hints):
|
| 694 |
+
return sqrt(2)*IdentityGate(self.targets[0])
|
| 695 |
+
|
| 696 |
+
def _eval_anticommutator_YGate(self, other, **hints):
|
| 697 |
+
return _S.Zero
|
| 698 |
+
|
| 699 |
+
def _eval_anticommutator_ZGate(self, other, **hints):
|
| 700 |
+
return sqrt(2)*IdentityGate(self.targets[0])
|
| 701 |
+
|
| 702 |
+
|
| 703 |
+
class XGate(HermitianOperator, OneQubitGate):
|
| 704 |
+
"""The single qubit X, or NOT, gate.
|
| 705 |
+
|
| 706 |
+
Parameters
|
| 707 |
+
----------
|
| 708 |
+
target : int
|
| 709 |
+
The target qubit this gate will apply to.
|
| 710 |
+
|
| 711 |
+
Examples
|
| 712 |
+
========
|
| 713 |
+
|
| 714 |
+
"""
|
| 715 |
+
gate_name = 'X'
|
| 716 |
+
gate_name_latex = 'X'
|
| 717 |
+
|
| 718 |
+
def get_target_matrix(self, format='sympy'):
|
| 719 |
+
return matrix_cache.get_matrix('X', format)
|
| 720 |
+
|
| 721 |
+
def plot_gate(self, circ_plot, gate_idx):
|
| 722 |
+
OneQubitGate.plot_gate(self,circ_plot,gate_idx)
|
| 723 |
+
|
| 724 |
+
def plot_gate_plus(self, circ_plot, gate_idx):
|
| 725 |
+
circ_plot.not_point(
|
| 726 |
+
gate_idx, int(self.label[0])
|
| 727 |
+
)
|
| 728 |
+
|
| 729 |
+
def _eval_commutator_YGate(self, other, **hints):
|
| 730 |
+
return Integer(2)*I*ZGate(self.targets[0])
|
| 731 |
+
|
| 732 |
+
def _eval_anticommutator_XGate(self, other, **hints):
|
| 733 |
+
return Integer(2)*IdentityGate(self.targets[0])
|
| 734 |
+
|
| 735 |
+
def _eval_anticommutator_YGate(self, other, **hints):
|
| 736 |
+
return _S.Zero
|
| 737 |
+
|
| 738 |
+
def _eval_anticommutator_ZGate(self, other, **hints):
|
| 739 |
+
return _S.Zero
|
| 740 |
+
|
| 741 |
+
|
| 742 |
+
class YGate(HermitianOperator, OneQubitGate):
|
| 743 |
+
"""The single qubit Y gate.
|
| 744 |
+
|
| 745 |
+
Parameters
|
| 746 |
+
----------
|
| 747 |
+
target : int
|
| 748 |
+
The target qubit this gate will apply to.
|
| 749 |
+
|
| 750 |
+
Examples
|
| 751 |
+
========
|
| 752 |
+
|
| 753 |
+
"""
|
| 754 |
+
gate_name = 'Y'
|
| 755 |
+
gate_name_latex = 'Y'
|
| 756 |
+
|
| 757 |
+
def get_target_matrix(self, format='sympy'):
|
| 758 |
+
return matrix_cache.get_matrix('Y', format)
|
| 759 |
+
|
| 760 |
+
def _eval_commutator_ZGate(self, other, **hints):
|
| 761 |
+
return Integer(2)*I*XGate(self.targets[0])
|
| 762 |
+
|
| 763 |
+
def _eval_anticommutator_YGate(self, other, **hints):
|
| 764 |
+
return Integer(2)*IdentityGate(self.targets[0])
|
| 765 |
+
|
| 766 |
+
def _eval_anticommutator_ZGate(self, other, **hints):
|
| 767 |
+
return _S.Zero
|
| 768 |
+
|
| 769 |
+
|
| 770 |
+
class ZGate(HermitianOperator, OneQubitGate):
|
| 771 |
+
"""The single qubit Z gate.
|
| 772 |
+
|
| 773 |
+
Parameters
|
| 774 |
+
----------
|
| 775 |
+
target : int
|
| 776 |
+
The target qubit this gate will apply to.
|
| 777 |
+
|
| 778 |
+
Examples
|
| 779 |
+
========
|
| 780 |
+
|
| 781 |
+
"""
|
| 782 |
+
gate_name = 'Z'
|
| 783 |
+
gate_name_latex = 'Z'
|
| 784 |
+
|
| 785 |
+
def get_target_matrix(self, format='sympy'):
|
| 786 |
+
return matrix_cache.get_matrix('Z', format)
|
| 787 |
+
|
| 788 |
+
def _eval_commutator_XGate(self, other, **hints):
|
| 789 |
+
return Integer(2)*I*YGate(self.targets[0])
|
| 790 |
+
|
| 791 |
+
def _eval_anticommutator_YGate(self, other, **hints):
|
| 792 |
+
return _S.Zero
|
| 793 |
+
|
| 794 |
+
|
| 795 |
+
class PhaseGate(OneQubitGate):
|
| 796 |
+
"""The single qubit phase, or S, gate.
|
| 797 |
+
|
| 798 |
+
This gate rotates the phase of the state by pi/2 if the state is ``|1>`` and
|
| 799 |
+
does nothing if the state is ``|0>``.
|
| 800 |
+
|
| 801 |
+
Parameters
|
| 802 |
+
----------
|
| 803 |
+
target : int
|
| 804 |
+
The target qubit this gate will apply to.
|
| 805 |
+
|
| 806 |
+
Examples
|
| 807 |
+
========
|
| 808 |
+
|
| 809 |
+
"""
|
| 810 |
+
is_hermitian = False
|
| 811 |
+
gate_name = 'S'
|
| 812 |
+
gate_name_latex = 'S'
|
| 813 |
+
|
| 814 |
+
def get_target_matrix(self, format='sympy'):
|
| 815 |
+
return matrix_cache.get_matrix('S', format)
|
| 816 |
+
|
| 817 |
+
def _eval_commutator_ZGate(self, other, **hints):
|
| 818 |
+
return _S.Zero
|
| 819 |
+
|
| 820 |
+
def _eval_commutator_TGate(self, other, **hints):
|
| 821 |
+
return _S.Zero
|
| 822 |
+
|
| 823 |
+
|
| 824 |
+
class TGate(OneQubitGate):
|
| 825 |
+
"""The single qubit pi/8 gate.
|
| 826 |
+
|
| 827 |
+
This gate rotates the phase of the state by pi/4 if the state is ``|1>`` and
|
| 828 |
+
does nothing if the state is ``|0>``.
|
| 829 |
+
|
| 830 |
+
Parameters
|
| 831 |
+
----------
|
| 832 |
+
target : int
|
| 833 |
+
The target qubit this gate will apply to.
|
| 834 |
+
|
| 835 |
+
Examples
|
| 836 |
+
========
|
| 837 |
+
|
| 838 |
+
"""
|
| 839 |
+
is_hermitian = False
|
| 840 |
+
gate_name = 'T'
|
| 841 |
+
gate_name_latex = 'T'
|
| 842 |
+
|
| 843 |
+
def get_target_matrix(self, format='sympy'):
|
| 844 |
+
return matrix_cache.get_matrix('T', format)
|
| 845 |
+
|
| 846 |
+
def _eval_commutator_ZGate(self, other, **hints):
|
| 847 |
+
return _S.Zero
|
| 848 |
+
|
| 849 |
+
def _eval_commutator_PhaseGate(self, other, **hints):
|
| 850 |
+
return _S.Zero
|
| 851 |
+
|
| 852 |
+
|
| 853 |
+
# Aliases for gate names.
|
| 854 |
+
H = HadamardGate
|
| 855 |
+
X = XGate
|
| 856 |
+
Y = YGate
|
| 857 |
+
Z = ZGate
|
| 858 |
+
T = TGate
|
| 859 |
+
Phase = S = PhaseGate
|
| 860 |
+
|
| 861 |
+
|
| 862 |
+
#-----------------------------------------------------------------------------
|
| 863 |
+
# 2 Qubit Gates
|
| 864 |
+
#-----------------------------------------------------------------------------
|
| 865 |
+
|
| 866 |
+
|
| 867 |
+
class CNotGate(HermitianOperator, CGate, TwoQubitGate):
|
| 868 |
+
"""Two qubit controlled-NOT.
|
| 869 |
+
|
| 870 |
+
This gate performs the NOT or X gate on the target qubit if the control
|
| 871 |
+
qubits all have the value 1.
|
| 872 |
+
|
| 873 |
+
Parameters
|
| 874 |
+
----------
|
| 875 |
+
label : tuple
|
| 876 |
+
A tuple of the form (control, target).
|
| 877 |
+
|
| 878 |
+
Examples
|
| 879 |
+
========
|
| 880 |
+
|
| 881 |
+
>>> from sympy.physics.quantum.gate import CNOT
|
| 882 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 883 |
+
>>> from sympy.physics.quantum.qubit import Qubit
|
| 884 |
+
>>> c = CNOT(1,0)
|
| 885 |
+
>>> qapply(c*Qubit('10')) # note that qubits are indexed from right to left
|
| 886 |
+
|11>
|
| 887 |
+
|
| 888 |
+
"""
|
| 889 |
+
gate_name = 'CNOT'
|
| 890 |
+
gate_name_latex = r'\text{CNOT}'
|
| 891 |
+
simplify_cgate = True
|
| 892 |
+
|
| 893 |
+
#-------------------------------------------------------------------------
|
| 894 |
+
# Initialization
|
| 895 |
+
#-------------------------------------------------------------------------
|
| 896 |
+
|
| 897 |
+
@classmethod
|
| 898 |
+
def _eval_args(cls, args):
|
| 899 |
+
args = Gate._eval_args(args)
|
| 900 |
+
return args
|
| 901 |
+
|
| 902 |
+
@classmethod
|
| 903 |
+
def _eval_hilbert_space(cls, args):
|
| 904 |
+
"""This returns the smallest possible Hilbert space."""
|
| 905 |
+
return ComplexSpace(2)**(_max(args) + 1)
|
| 906 |
+
|
| 907 |
+
#-------------------------------------------------------------------------
|
| 908 |
+
# Properties
|
| 909 |
+
#-------------------------------------------------------------------------
|
| 910 |
+
|
| 911 |
+
@property
|
| 912 |
+
def min_qubits(self):
|
| 913 |
+
"""The minimum number of qubits this gate needs to act on."""
|
| 914 |
+
return _max(self.label) + 1
|
| 915 |
+
|
| 916 |
+
@property
|
| 917 |
+
def targets(self):
|
| 918 |
+
"""A tuple of target qubits."""
|
| 919 |
+
return (self.label[1],)
|
| 920 |
+
|
| 921 |
+
@property
|
| 922 |
+
def controls(self):
|
| 923 |
+
"""A tuple of control qubits."""
|
| 924 |
+
return (self.label[0],)
|
| 925 |
+
|
| 926 |
+
@property
|
| 927 |
+
def gate(self):
|
| 928 |
+
"""The non-controlled gate that will be applied to the targets."""
|
| 929 |
+
return XGate(self.label[1])
|
| 930 |
+
|
| 931 |
+
#-------------------------------------------------------------------------
|
| 932 |
+
# Properties
|
| 933 |
+
#-------------------------------------------------------------------------
|
| 934 |
+
|
| 935 |
+
# The default printing of Gate works better than those of CGate, so we
|
| 936 |
+
# go around the overridden methods in CGate.
|
| 937 |
+
|
| 938 |
+
def _print_label(self, printer, *args):
|
| 939 |
+
return Gate._print_label(self, printer, *args)
|
| 940 |
+
|
| 941 |
+
def _pretty(self, printer, *args):
|
| 942 |
+
return Gate._pretty(self, printer, *args)
|
| 943 |
+
|
| 944 |
+
def _latex(self, printer, *args):
|
| 945 |
+
return Gate._latex(self, printer, *args)
|
| 946 |
+
|
| 947 |
+
#-------------------------------------------------------------------------
|
| 948 |
+
# Commutator/AntiCommutator
|
| 949 |
+
#-------------------------------------------------------------------------
|
| 950 |
+
|
| 951 |
+
def _eval_commutator_ZGate(self, other, **hints):
|
| 952 |
+
"""[CNOT(i, j), Z(i)] == 0."""
|
| 953 |
+
if self.controls[0] == other.targets[0]:
|
| 954 |
+
return _S.Zero
|
| 955 |
+
else:
|
| 956 |
+
raise NotImplementedError('Commutator not implemented: %r' % other)
|
| 957 |
+
|
| 958 |
+
def _eval_commutator_TGate(self, other, **hints):
|
| 959 |
+
"""[CNOT(i, j), T(i)] == 0."""
|
| 960 |
+
return self._eval_commutator_ZGate(other, **hints)
|
| 961 |
+
|
| 962 |
+
def _eval_commutator_PhaseGate(self, other, **hints):
|
| 963 |
+
"""[CNOT(i, j), S(i)] == 0."""
|
| 964 |
+
return self._eval_commutator_ZGate(other, **hints)
|
| 965 |
+
|
| 966 |
+
def _eval_commutator_XGate(self, other, **hints):
|
| 967 |
+
"""[CNOT(i, j), X(j)] == 0."""
|
| 968 |
+
if self.targets[0] == other.targets[0]:
|
| 969 |
+
return _S.Zero
|
| 970 |
+
else:
|
| 971 |
+
raise NotImplementedError('Commutator not implemented: %r' % other)
|
| 972 |
+
|
| 973 |
+
def _eval_commutator_CNotGate(self, other, **hints):
|
| 974 |
+
"""[CNOT(i, j), CNOT(i,k)] == 0."""
|
| 975 |
+
if self.controls[0] == other.controls[0]:
|
| 976 |
+
return _S.Zero
|
| 977 |
+
else:
|
| 978 |
+
raise NotImplementedError('Commutator not implemented: %r' % other)
|
| 979 |
+
|
| 980 |
+
|
| 981 |
+
class SwapGate(TwoQubitGate):
|
| 982 |
+
"""Two qubit SWAP gate.
|
| 983 |
+
|
| 984 |
+
This gate swap the values of the two qubits.
|
| 985 |
+
|
| 986 |
+
Parameters
|
| 987 |
+
----------
|
| 988 |
+
label : tuple
|
| 989 |
+
A tuple of the form (target1, target2).
|
| 990 |
+
|
| 991 |
+
Examples
|
| 992 |
+
========
|
| 993 |
+
|
| 994 |
+
"""
|
| 995 |
+
is_hermitian = True
|
| 996 |
+
gate_name = 'SWAP'
|
| 997 |
+
gate_name_latex = r'\text{SWAP}'
|
| 998 |
+
|
| 999 |
+
def get_target_matrix(self, format='sympy'):
|
| 1000 |
+
return matrix_cache.get_matrix('SWAP', format)
|
| 1001 |
+
|
| 1002 |
+
def decompose(self, **options):
|
| 1003 |
+
"""Decompose the SWAP gate into CNOT gates."""
|
| 1004 |
+
i, j = self.targets[0], self.targets[1]
|
| 1005 |
+
g1 = CNotGate(i, j)
|
| 1006 |
+
g2 = CNotGate(j, i)
|
| 1007 |
+
return g1*g2*g1
|
| 1008 |
+
|
| 1009 |
+
def plot_gate(self, circ_plot, gate_idx):
|
| 1010 |
+
min_wire = int(_min(self.targets))
|
| 1011 |
+
max_wire = int(_max(self.targets))
|
| 1012 |
+
circ_plot.control_line(gate_idx, min_wire, max_wire)
|
| 1013 |
+
circ_plot.swap_point(gate_idx, min_wire)
|
| 1014 |
+
circ_plot.swap_point(gate_idx, max_wire)
|
| 1015 |
+
|
| 1016 |
+
def _represent_ZGate(self, basis, **options):
|
| 1017 |
+
"""Represent the SWAP gate in the computational basis.
|
| 1018 |
+
|
| 1019 |
+
The following representation is used to compute this:
|
| 1020 |
+
|
| 1021 |
+
SWAP = |1><1|x|1><1| + |0><0|x|0><0| + |1><0|x|0><1| + |0><1|x|1><0|
|
| 1022 |
+
"""
|
| 1023 |
+
format = options.get('format', 'sympy')
|
| 1024 |
+
targets = [int(t) for t in self.targets]
|
| 1025 |
+
min_target = _min(targets)
|
| 1026 |
+
max_target = _max(targets)
|
| 1027 |
+
nqubits = options.get('nqubits', self.min_qubits)
|
| 1028 |
+
|
| 1029 |
+
op01 = matrix_cache.get_matrix('op01', format)
|
| 1030 |
+
op10 = matrix_cache.get_matrix('op10', format)
|
| 1031 |
+
op11 = matrix_cache.get_matrix('op11', format)
|
| 1032 |
+
op00 = matrix_cache.get_matrix('op00', format)
|
| 1033 |
+
eye2 = matrix_cache.get_matrix('eye2', format)
|
| 1034 |
+
|
| 1035 |
+
result = None
|
| 1036 |
+
for i, j in ((op01, op10), (op10, op01), (op00, op00), (op11, op11)):
|
| 1037 |
+
product = nqubits*[eye2]
|
| 1038 |
+
product[nqubits - min_target - 1] = i
|
| 1039 |
+
product[nqubits - max_target - 1] = j
|
| 1040 |
+
new_result = matrix_tensor_product(*product)
|
| 1041 |
+
if result is None:
|
| 1042 |
+
result = new_result
|
| 1043 |
+
else:
|
| 1044 |
+
result = result + new_result
|
| 1045 |
+
|
| 1046 |
+
return result
|
| 1047 |
+
|
| 1048 |
+
|
| 1049 |
+
# Aliases for gate names.
|
| 1050 |
+
CNOT = CNotGate
|
| 1051 |
+
SWAP = SwapGate
|
| 1052 |
+
def CPHASE(a,b): return CGateS((a,),Z(b))
|
| 1053 |
+
|
| 1054 |
+
|
| 1055 |
+
#-----------------------------------------------------------------------------
|
| 1056 |
+
# Represent
|
| 1057 |
+
#-----------------------------------------------------------------------------
|
| 1058 |
+
|
| 1059 |
+
|
| 1060 |
+
def represent_zbasis(controls, targets, target_matrix, nqubits, format='sympy'):
|
| 1061 |
+
"""Represent a gate with controls, targets and target_matrix.
|
| 1062 |
+
|
| 1063 |
+
This function does the low-level work of representing gates as matrices
|
| 1064 |
+
in the standard computational basis (ZGate). Currently, we support two
|
| 1065 |
+
main cases:
|
| 1066 |
+
|
| 1067 |
+
1. One target qubit and no control qubits.
|
| 1068 |
+
2. One target qubits and multiple control qubits.
|
| 1069 |
+
|
| 1070 |
+
For the base of multiple controls, we use the following expression [1]:
|
| 1071 |
+
|
| 1072 |
+
1_{2**n} + (|1><1|)^{(n-1)} x (target-matrix - 1_{2})
|
| 1073 |
+
|
| 1074 |
+
Parameters
|
| 1075 |
+
----------
|
| 1076 |
+
controls : list, tuple
|
| 1077 |
+
A sequence of control qubits.
|
| 1078 |
+
targets : list, tuple
|
| 1079 |
+
A sequence of target qubits.
|
| 1080 |
+
target_matrix : sympy.Matrix, numpy.matrix, scipy.sparse
|
| 1081 |
+
The matrix form of the transformation to be performed on the target
|
| 1082 |
+
qubits. The format of this matrix must match that passed into
|
| 1083 |
+
the `format` argument.
|
| 1084 |
+
nqubits : int
|
| 1085 |
+
The total number of qubits used for the representation.
|
| 1086 |
+
format : str
|
| 1087 |
+
The format of the final matrix ('sympy', 'numpy', 'scipy.sparse').
|
| 1088 |
+
|
| 1089 |
+
Examples
|
| 1090 |
+
========
|
| 1091 |
+
|
| 1092 |
+
References
|
| 1093 |
+
----------
|
| 1094 |
+
[1] http://www.johnlapeyre.com/qinf/qinf_html/node6.html.
|
| 1095 |
+
"""
|
| 1096 |
+
controls = [int(x) for x in controls]
|
| 1097 |
+
targets = [int(x) for x in targets]
|
| 1098 |
+
nqubits = int(nqubits)
|
| 1099 |
+
|
| 1100 |
+
# This checks for the format as well.
|
| 1101 |
+
op11 = matrix_cache.get_matrix('op11', format)
|
| 1102 |
+
eye2 = matrix_cache.get_matrix('eye2', format)
|
| 1103 |
+
|
| 1104 |
+
# Plain single qubit case
|
| 1105 |
+
if len(controls) == 0 and len(targets) == 1:
|
| 1106 |
+
product = []
|
| 1107 |
+
bit = targets[0]
|
| 1108 |
+
# Fill product with [I1,Gate,I2] such that the unitaries,
|
| 1109 |
+
# I, cause the gate to be applied to the correct Qubit
|
| 1110 |
+
if bit != nqubits - 1:
|
| 1111 |
+
product.append(matrix_eye(2**(nqubits - bit - 1), format=format))
|
| 1112 |
+
product.append(target_matrix)
|
| 1113 |
+
if bit != 0:
|
| 1114 |
+
product.append(matrix_eye(2**bit, format=format))
|
| 1115 |
+
return matrix_tensor_product(*product)
|
| 1116 |
+
|
| 1117 |
+
# Single target, multiple controls.
|
| 1118 |
+
elif len(targets) == 1 and len(controls) >= 1:
|
| 1119 |
+
target = targets[0]
|
| 1120 |
+
|
| 1121 |
+
# Build the non-trivial part.
|
| 1122 |
+
product2 = []
|
| 1123 |
+
for i in range(nqubits):
|
| 1124 |
+
product2.append(matrix_eye(2, format=format))
|
| 1125 |
+
for control in controls:
|
| 1126 |
+
product2[nqubits - 1 - control] = op11
|
| 1127 |
+
product2[nqubits - 1 - target] = target_matrix - eye2
|
| 1128 |
+
|
| 1129 |
+
return matrix_eye(2**nqubits, format=format) + \
|
| 1130 |
+
matrix_tensor_product(*product2)
|
| 1131 |
+
|
| 1132 |
+
# Multi-target, multi-control is not yet implemented.
|
| 1133 |
+
else:
|
| 1134 |
+
raise NotImplementedError(
|
| 1135 |
+
'The representation of multi-target, multi-control gates '
|
| 1136 |
+
'is not implemented.'
|
| 1137 |
+
)
|
| 1138 |
+
|
| 1139 |
+
|
| 1140 |
+
#-----------------------------------------------------------------------------
|
| 1141 |
+
# Gate manipulation functions.
|
| 1142 |
+
#-----------------------------------------------------------------------------
|
| 1143 |
+
|
| 1144 |
+
|
| 1145 |
+
def gate_simp(circuit):
|
| 1146 |
+
"""Simplifies gates symbolically
|
| 1147 |
+
|
| 1148 |
+
It first sorts gates using gate_sort. It then applies basic
|
| 1149 |
+
simplification rules to the circuit, e.g., XGate**2 = Identity
|
| 1150 |
+
"""
|
| 1151 |
+
|
| 1152 |
+
# Bubble sort out gates that commute.
|
| 1153 |
+
circuit = gate_sort(circuit)
|
| 1154 |
+
|
| 1155 |
+
# Do simplifications by subing a simplification into the first element
|
| 1156 |
+
# which can be simplified. We recursively call gate_simp with new circuit
|
| 1157 |
+
# as input more simplifications exist.
|
| 1158 |
+
if isinstance(circuit, Add):
|
| 1159 |
+
return sum(gate_simp(t) for t in circuit.args)
|
| 1160 |
+
elif isinstance(circuit, Mul):
|
| 1161 |
+
circuit_args = circuit.args
|
| 1162 |
+
elif isinstance(circuit, Pow):
|
| 1163 |
+
b, e = circuit.as_base_exp()
|
| 1164 |
+
circuit_args = (gate_simp(b)**e,)
|
| 1165 |
+
else:
|
| 1166 |
+
return circuit
|
| 1167 |
+
|
| 1168 |
+
# Iterate through each element in circuit, simplify if possible.
|
| 1169 |
+
for i in range(len(circuit_args)):
|
| 1170 |
+
# H,X,Y or Z squared is 1.
|
| 1171 |
+
# T**2 = S, S**2 = Z
|
| 1172 |
+
if isinstance(circuit_args[i], Pow):
|
| 1173 |
+
if isinstance(circuit_args[i].base,
|
| 1174 |
+
(HadamardGate, XGate, YGate, ZGate)) \
|
| 1175 |
+
and isinstance(circuit_args[i].exp, Number):
|
| 1176 |
+
# Build a new circuit taking replacing the
|
| 1177 |
+
# H,X,Y,Z squared with one.
|
| 1178 |
+
newargs = (circuit_args[:i] +
|
| 1179 |
+
(circuit_args[i].base**(circuit_args[i].exp % 2),) +
|
| 1180 |
+
circuit_args[i + 1:])
|
| 1181 |
+
# Recursively simplify the new circuit.
|
| 1182 |
+
circuit = gate_simp(Mul(*newargs))
|
| 1183 |
+
break
|
| 1184 |
+
elif isinstance(circuit_args[i].base, PhaseGate):
|
| 1185 |
+
# Build a new circuit taking old circuit but splicing
|
| 1186 |
+
# in simplification.
|
| 1187 |
+
newargs = circuit_args[:i]
|
| 1188 |
+
# Replace PhaseGate**2 with ZGate.
|
| 1189 |
+
newargs = newargs + (ZGate(circuit_args[i].base.args[0])**
|
| 1190 |
+
(Integer(circuit_args[i].exp/2)), circuit_args[i].base**
|
| 1191 |
+
(circuit_args[i].exp % 2))
|
| 1192 |
+
# Append the last elements.
|
| 1193 |
+
newargs = newargs + circuit_args[i + 1:]
|
| 1194 |
+
# Recursively simplify the new circuit.
|
| 1195 |
+
circuit = gate_simp(Mul(*newargs))
|
| 1196 |
+
break
|
| 1197 |
+
elif isinstance(circuit_args[i].base, TGate):
|
| 1198 |
+
# Build a new circuit taking all the old elements.
|
| 1199 |
+
newargs = circuit_args[:i]
|
| 1200 |
+
|
| 1201 |
+
# Put an Phasegate in place of any TGate**2.
|
| 1202 |
+
newargs = newargs + (PhaseGate(circuit_args[i].base.args[0])**
|
| 1203 |
+
Integer(circuit_args[i].exp/2), circuit_args[i].base**
|
| 1204 |
+
(circuit_args[i].exp % 2))
|
| 1205 |
+
|
| 1206 |
+
# Append the last elements.
|
| 1207 |
+
newargs = newargs + circuit_args[i + 1:]
|
| 1208 |
+
# Recursively simplify the new circuit.
|
| 1209 |
+
circuit = gate_simp(Mul(*newargs))
|
| 1210 |
+
break
|
| 1211 |
+
return circuit
|
| 1212 |
+
|
| 1213 |
+
|
| 1214 |
+
def gate_sort(circuit):
|
| 1215 |
+
"""Sorts the gates while keeping track of commutation relations
|
| 1216 |
+
|
| 1217 |
+
This function uses a bubble sort to rearrange the order of gate
|
| 1218 |
+
application. Keeps track of Quantum computations special commutation
|
| 1219 |
+
relations (e.g. things that apply to the same Qubit do not commute with
|
| 1220 |
+
each other)
|
| 1221 |
+
|
| 1222 |
+
circuit is the Mul of gates that are to be sorted.
|
| 1223 |
+
"""
|
| 1224 |
+
# Make sure we have an Add or Mul.
|
| 1225 |
+
if isinstance(circuit, Add):
|
| 1226 |
+
return sum(gate_sort(t) for t in circuit.args)
|
| 1227 |
+
if isinstance(circuit, Pow):
|
| 1228 |
+
return gate_sort(circuit.base)**circuit.exp
|
| 1229 |
+
elif isinstance(circuit, Gate):
|
| 1230 |
+
return circuit
|
| 1231 |
+
if not isinstance(circuit, Mul):
|
| 1232 |
+
return circuit
|
| 1233 |
+
|
| 1234 |
+
changes = True
|
| 1235 |
+
while changes:
|
| 1236 |
+
changes = False
|
| 1237 |
+
circ_array = circuit.args
|
| 1238 |
+
for i in range(len(circ_array) - 1):
|
| 1239 |
+
# Go through each element and switch ones that are in wrong order
|
| 1240 |
+
if isinstance(circ_array[i], (Gate, Pow)) and \
|
| 1241 |
+
isinstance(circ_array[i + 1], (Gate, Pow)):
|
| 1242 |
+
# If we have a Pow object, look at only the base
|
| 1243 |
+
first_base, first_exp = circ_array[i].as_base_exp()
|
| 1244 |
+
second_base, second_exp = circ_array[i + 1].as_base_exp()
|
| 1245 |
+
|
| 1246 |
+
# Use SymPy's hash based sorting. This is not mathematical
|
| 1247 |
+
# sorting, but is rather based on comparing hashes of objects.
|
| 1248 |
+
# See Basic.compare for details.
|
| 1249 |
+
if first_base.compare(second_base) > 0:
|
| 1250 |
+
if Commutator(first_base, second_base).doit() == 0:
|
| 1251 |
+
new_args = (circuit.args[:i] + (circuit.args[i + 1],) +
|
| 1252 |
+
(circuit.args[i],) + circuit.args[i + 2:])
|
| 1253 |
+
circuit = Mul(*new_args)
|
| 1254 |
+
changes = True
|
| 1255 |
+
break
|
| 1256 |
+
if AntiCommutator(first_base, second_base).doit() == 0:
|
| 1257 |
+
new_args = (circuit.args[:i] + (circuit.args[i + 1],) +
|
| 1258 |
+
(circuit.args[i],) + circuit.args[i + 2:])
|
| 1259 |
+
sign = _S.NegativeOne**(first_exp*second_exp)
|
| 1260 |
+
circuit = sign*Mul(*new_args)
|
| 1261 |
+
changes = True
|
| 1262 |
+
break
|
| 1263 |
+
return circuit
|
| 1264 |
+
|
| 1265 |
+
|
| 1266 |
+
#-----------------------------------------------------------------------------
|
| 1267 |
+
# Utility functions
|
| 1268 |
+
#-----------------------------------------------------------------------------
|
| 1269 |
+
|
| 1270 |
+
|
| 1271 |
+
def random_circuit(ngates, nqubits, gate_space=(X, Y, Z, S, T, H, CNOT, SWAP)):
|
| 1272 |
+
"""Return a random circuit of ngates and nqubits.
|
| 1273 |
+
|
| 1274 |
+
This uses an equally weighted sample of (X, Y, Z, S, T, H, CNOT, SWAP)
|
| 1275 |
+
gates.
|
| 1276 |
+
|
| 1277 |
+
Parameters
|
| 1278 |
+
----------
|
| 1279 |
+
ngates : int
|
| 1280 |
+
The number of gates in the circuit.
|
| 1281 |
+
nqubits : int
|
| 1282 |
+
The number of qubits in the circuit.
|
| 1283 |
+
gate_space : tuple
|
| 1284 |
+
A tuple of the gate classes that will be used in the circuit.
|
| 1285 |
+
Repeating gate classes multiple times in this tuple will increase
|
| 1286 |
+
the frequency they appear in the random circuit.
|
| 1287 |
+
"""
|
| 1288 |
+
qubit_space = range(nqubits)
|
| 1289 |
+
result = []
|
| 1290 |
+
for i in range(ngates):
|
| 1291 |
+
g = random.choice(gate_space)
|
| 1292 |
+
if g == CNotGate or g == SwapGate:
|
| 1293 |
+
qubits = random.sample(qubit_space, 2)
|
| 1294 |
+
g = g(*qubits)
|
| 1295 |
+
else:
|
| 1296 |
+
qubit = random.choice(qubit_space)
|
| 1297 |
+
g = g(qubit)
|
| 1298 |
+
result.append(g)
|
| 1299 |
+
return Mul(*result)
|
| 1300 |
+
|
| 1301 |
+
|
| 1302 |
+
def zx_basis_transform(self, format='sympy'):
|
| 1303 |
+
"""Transformation matrix from Z to X basis."""
|
| 1304 |
+
return matrix_cache.get_matrix('ZX', format)
|
| 1305 |
+
|
| 1306 |
+
|
| 1307 |
+
def zy_basis_transform(self, format='sympy'):
|
| 1308 |
+
"""Transformation matrix from Z to Y basis."""
|
| 1309 |
+
return matrix_cache.get_matrix('ZY', format)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/grover.py
ADDED
|
@@ -0,0 +1,345 @@
|
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|
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|
|
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|
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|
|
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|
|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
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|
|
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|
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|
|
|
|
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|
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|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Grover's algorithm and helper functions.
|
| 2 |
+
|
| 3 |
+
Todo:
|
| 4 |
+
|
| 5 |
+
* W gate construction (or perhaps -W gate based on Mermin's book)
|
| 6 |
+
* Generalize the algorithm for an unknown function that returns 1 on multiple
|
| 7 |
+
qubit states, not just one.
|
| 8 |
+
* Implement _represent_ZGate in OracleGate
|
| 9 |
+
"""
|
| 10 |
+
|
| 11 |
+
from sympy.core.numbers import pi
|
| 12 |
+
from sympy.core.sympify import sympify
|
| 13 |
+
from sympy.core.basic import Atom
|
| 14 |
+
from sympy.functions.elementary.integers import floor
|
| 15 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 16 |
+
from sympy.matrices.dense import eye
|
| 17 |
+
from sympy.core.numbers import NegativeOne
|
| 18 |
+
from sympy.physics.quantum.qapply import qapply
|
| 19 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 20 |
+
from sympy.physics.quantum.hilbert import ComplexSpace
|
| 21 |
+
from sympy.physics.quantum.operator import UnitaryOperator
|
| 22 |
+
from sympy.physics.quantum.gate import Gate
|
| 23 |
+
from sympy.physics.quantum.qubit import IntQubit
|
| 24 |
+
|
| 25 |
+
__all__ = [
|
| 26 |
+
'OracleGate',
|
| 27 |
+
'WGate',
|
| 28 |
+
'superposition_basis',
|
| 29 |
+
'grover_iteration',
|
| 30 |
+
'apply_grover'
|
| 31 |
+
]
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
def superposition_basis(nqubits):
|
| 35 |
+
"""Creates an equal superposition of the computational basis.
|
| 36 |
+
|
| 37 |
+
Parameters
|
| 38 |
+
==========
|
| 39 |
+
|
| 40 |
+
nqubits : int
|
| 41 |
+
The number of qubits.
|
| 42 |
+
|
| 43 |
+
Returns
|
| 44 |
+
=======
|
| 45 |
+
|
| 46 |
+
state : Qubit
|
| 47 |
+
An equal superposition of the computational basis with nqubits.
|
| 48 |
+
|
| 49 |
+
Examples
|
| 50 |
+
========
|
| 51 |
+
|
| 52 |
+
Create an equal superposition of 2 qubits::
|
| 53 |
+
|
| 54 |
+
>>> from sympy.physics.quantum.grover import superposition_basis
|
| 55 |
+
>>> superposition_basis(2)
|
| 56 |
+
|0>/2 + |1>/2 + |2>/2 + |3>/2
|
| 57 |
+
"""
|
| 58 |
+
|
| 59 |
+
amp = 1/sqrt(2**nqubits)
|
| 60 |
+
return sum(amp*IntQubit(n, nqubits=nqubits) for n in range(2**nqubits))
|
| 61 |
+
|
| 62 |
+
class OracleGateFunction(Atom):
|
| 63 |
+
"""Wrapper for python functions used in `OracleGate`s"""
|
| 64 |
+
|
| 65 |
+
def __new__(cls, function):
|
| 66 |
+
if not callable(function):
|
| 67 |
+
raise TypeError('Callable expected, got: %r' % function)
|
| 68 |
+
obj = Atom.__new__(cls)
|
| 69 |
+
obj.function = function
|
| 70 |
+
return obj
|
| 71 |
+
|
| 72 |
+
def _hashable_content(self):
|
| 73 |
+
return type(self), self.function
|
| 74 |
+
|
| 75 |
+
def __call__(self, *args):
|
| 76 |
+
return self.function(*args)
|
| 77 |
+
|
| 78 |
+
|
| 79 |
+
class OracleGate(Gate):
|
| 80 |
+
"""A black box gate.
|
| 81 |
+
|
| 82 |
+
The gate marks the desired qubits of an unknown function by flipping
|
| 83 |
+
the sign of the qubits. The unknown function returns true when it
|
| 84 |
+
finds its desired qubits and false otherwise.
|
| 85 |
+
|
| 86 |
+
Parameters
|
| 87 |
+
==========
|
| 88 |
+
|
| 89 |
+
qubits : int
|
| 90 |
+
Number of qubits.
|
| 91 |
+
|
| 92 |
+
oracle : callable
|
| 93 |
+
A callable function that returns a boolean on a computational basis.
|
| 94 |
+
|
| 95 |
+
Examples
|
| 96 |
+
========
|
| 97 |
+
|
| 98 |
+
Apply an Oracle gate that flips the sign of ``|2>`` on different qubits::
|
| 99 |
+
|
| 100 |
+
>>> from sympy.physics.quantum.qubit import IntQubit
|
| 101 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 102 |
+
>>> from sympy.physics.quantum.grover import OracleGate
|
| 103 |
+
>>> f = lambda qubits: qubits == IntQubit(2)
|
| 104 |
+
>>> v = OracleGate(2, f)
|
| 105 |
+
>>> qapply(v*IntQubit(2))
|
| 106 |
+
-|2>
|
| 107 |
+
>>> qapply(v*IntQubit(3))
|
| 108 |
+
|3>
|
| 109 |
+
"""
|
| 110 |
+
|
| 111 |
+
gate_name = 'V'
|
| 112 |
+
gate_name_latex = 'V'
|
| 113 |
+
|
| 114 |
+
#-------------------------------------------------------------------------
|
| 115 |
+
# Initialization/creation
|
| 116 |
+
#-------------------------------------------------------------------------
|
| 117 |
+
|
| 118 |
+
@classmethod
|
| 119 |
+
def _eval_args(cls, args):
|
| 120 |
+
if len(args) != 2:
|
| 121 |
+
raise QuantumError(
|
| 122 |
+
'Insufficient/excessive arguments to Oracle. Please ' +
|
| 123 |
+
'supply the number of qubits and an unknown function.'
|
| 124 |
+
)
|
| 125 |
+
sub_args = (args[0],)
|
| 126 |
+
sub_args = UnitaryOperator._eval_args(sub_args)
|
| 127 |
+
if not sub_args[0].is_Integer:
|
| 128 |
+
raise TypeError('Integer expected, got: %r' % sub_args[0])
|
| 129 |
+
|
| 130 |
+
function = args[1]
|
| 131 |
+
if not isinstance(function, OracleGateFunction):
|
| 132 |
+
function = OracleGateFunction(function)
|
| 133 |
+
|
| 134 |
+
return (sub_args[0], function)
|
| 135 |
+
|
| 136 |
+
@classmethod
|
| 137 |
+
def _eval_hilbert_space(cls, args):
|
| 138 |
+
"""This returns the smallest possible Hilbert space."""
|
| 139 |
+
return ComplexSpace(2)**args[0]
|
| 140 |
+
|
| 141 |
+
#-------------------------------------------------------------------------
|
| 142 |
+
# Properties
|
| 143 |
+
#-------------------------------------------------------------------------
|
| 144 |
+
|
| 145 |
+
@property
|
| 146 |
+
def search_function(self):
|
| 147 |
+
"""The unknown function that helps find the sought after qubits."""
|
| 148 |
+
return self.label[1]
|
| 149 |
+
|
| 150 |
+
@property
|
| 151 |
+
def targets(self):
|
| 152 |
+
"""A tuple of target qubits."""
|
| 153 |
+
return sympify(tuple(range(self.args[0])))
|
| 154 |
+
|
| 155 |
+
#-------------------------------------------------------------------------
|
| 156 |
+
# Apply
|
| 157 |
+
#-------------------------------------------------------------------------
|
| 158 |
+
|
| 159 |
+
def _apply_operator_Qubit(self, qubits, **options):
|
| 160 |
+
"""Apply this operator to a Qubit subclass.
|
| 161 |
+
|
| 162 |
+
Parameters
|
| 163 |
+
==========
|
| 164 |
+
|
| 165 |
+
qubits : Qubit
|
| 166 |
+
The qubit subclass to apply this operator to.
|
| 167 |
+
|
| 168 |
+
Returns
|
| 169 |
+
=======
|
| 170 |
+
|
| 171 |
+
state : Expr
|
| 172 |
+
The resulting quantum state.
|
| 173 |
+
"""
|
| 174 |
+
if qubits.nqubits != self.nqubits:
|
| 175 |
+
raise QuantumError(
|
| 176 |
+
'OracleGate operates on %r qubits, got: %r'
|
| 177 |
+
% (self.nqubits, qubits.nqubits)
|
| 178 |
+
)
|
| 179 |
+
# If function returns 1 on qubits
|
| 180 |
+
# return the negative of the qubits (flip the sign)
|
| 181 |
+
if self.search_function(qubits):
|
| 182 |
+
return -qubits
|
| 183 |
+
else:
|
| 184 |
+
return qubits
|
| 185 |
+
|
| 186 |
+
#-------------------------------------------------------------------------
|
| 187 |
+
# Represent
|
| 188 |
+
#-------------------------------------------------------------------------
|
| 189 |
+
|
| 190 |
+
def _represent_ZGate(self, basis, **options):
|
| 191 |
+
"""
|
| 192 |
+
Represent the OracleGate in the computational basis.
|
| 193 |
+
"""
|
| 194 |
+
nbasis = 2**self.nqubits # compute it only once
|
| 195 |
+
matrixOracle = eye(nbasis)
|
| 196 |
+
# Flip the sign given the output of the oracle function
|
| 197 |
+
for i in range(nbasis):
|
| 198 |
+
if self.search_function(IntQubit(i, nqubits=self.nqubits)):
|
| 199 |
+
matrixOracle[i, i] = NegativeOne()
|
| 200 |
+
return matrixOracle
|
| 201 |
+
|
| 202 |
+
|
| 203 |
+
class WGate(Gate):
|
| 204 |
+
"""General n qubit W Gate in Grover's algorithm.
|
| 205 |
+
|
| 206 |
+
The gate performs the operation ``2|phi><phi| - 1`` on some qubits.
|
| 207 |
+
``|phi> = (tensor product of n Hadamards)*(|0> with n qubits)``
|
| 208 |
+
|
| 209 |
+
Parameters
|
| 210 |
+
==========
|
| 211 |
+
|
| 212 |
+
nqubits : int
|
| 213 |
+
The number of qubits to operate on
|
| 214 |
+
|
| 215 |
+
"""
|
| 216 |
+
|
| 217 |
+
gate_name = 'W'
|
| 218 |
+
gate_name_latex = 'W'
|
| 219 |
+
|
| 220 |
+
@classmethod
|
| 221 |
+
def _eval_args(cls, args):
|
| 222 |
+
if len(args) != 1:
|
| 223 |
+
raise QuantumError(
|
| 224 |
+
'Insufficient/excessive arguments to W gate. Please ' +
|
| 225 |
+
'supply the number of qubits to operate on.'
|
| 226 |
+
)
|
| 227 |
+
args = UnitaryOperator._eval_args(args)
|
| 228 |
+
if not args[0].is_Integer:
|
| 229 |
+
raise TypeError('Integer expected, got: %r' % args[0])
|
| 230 |
+
return args
|
| 231 |
+
|
| 232 |
+
#-------------------------------------------------------------------------
|
| 233 |
+
# Properties
|
| 234 |
+
#-------------------------------------------------------------------------
|
| 235 |
+
|
| 236 |
+
@property
|
| 237 |
+
def targets(self):
|
| 238 |
+
return sympify(tuple(reversed(range(self.args[0]))))
|
| 239 |
+
|
| 240 |
+
#-------------------------------------------------------------------------
|
| 241 |
+
# Apply
|
| 242 |
+
#-------------------------------------------------------------------------
|
| 243 |
+
|
| 244 |
+
def _apply_operator_Qubit(self, qubits, **options):
|
| 245 |
+
"""
|
| 246 |
+
qubits: a set of qubits (Qubit)
|
| 247 |
+
Returns: quantum object (quantum expression - QExpr)
|
| 248 |
+
"""
|
| 249 |
+
if qubits.nqubits != self.nqubits:
|
| 250 |
+
raise QuantumError(
|
| 251 |
+
'WGate operates on %r qubits, got: %r'
|
| 252 |
+
% (self.nqubits, qubits.nqubits)
|
| 253 |
+
)
|
| 254 |
+
|
| 255 |
+
# See 'Quantum Computer Science' by David Mermin p.92 -> W|a> result
|
| 256 |
+
# Return (2/(sqrt(2^n)))|phi> - |a> where |a> is the current basis
|
| 257 |
+
# state and phi is the superposition of basis states (see function
|
| 258 |
+
# create_computational_basis above)
|
| 259 |
+
basis_states = superposition_basis(self.nqubits)
|
| 260 |
+
change_to_basis = (2/sqrt(2**self.nqubits))*basis_states
|
| 261 |
+
return change_to_basis - qubits
|
| 262 |
+
|
| 263 |
+
|
| 264 |
+
def grover_iteration(qstate, oracle):
|
| 265 |
+
"""Applies one application of the Oracle and W Gate, WV.
|
| 266 |
+
|
| 267 |
+
Parameters
|
| 268 |
+
==========
|
| 269 |
+
|
| 270 |
+
qstate : Qubit
|
| 271 |
+
A superposition of qubits.
|
| 272 |
+
oracle : OracleGate
|
| 273 |
+
The black box operator that flips the sign of the desired basis qubits.
|
| 274 |
+
|
| 275 |
+
Returns
|
| 276 |
+
=======
|
| 277 |
+
|
| 278 |
+
Qubit : The qubits after applying the Oracle and W gate.
|
| 279 |
+
|
| 280 |
+
Examples
|
| 281 |
+
========
|
| 282 |
+
|
| 283 |
+
Perform one iteration of grover's algorithm to see a phase change::
|
| 284 |
+
|
| 285 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 286 |
+
>>> from sympy.physics.quantum.qubit import IntQubit
|
| 287 |
+
>>> from sympy.physics.quantum.grover import OracleGate
|
| 288 |
+
>>> from sympy.physics.quantum.grover import superposition_basis
|
| 289 |
+
>>> from sympy.physics.quantum.grover import grover_iteration
|
| 290 |
+
>>> numqubits = 2
|
| 291 |
+
>>> basis_states = superposition_basis(numqubits)
|
| 292 |
+
>>> f = lambda qubits: qubits == IntQubit(2)
|
| 293 |
+
>>> v = OracleGate(numqubits, f)
|
| 294 |
+
>>> qapply(grover_iteration(basis_states, v))
|
| 295 |
+
|2>
|
| 296 |
+
|
| 297 |
+
"""
|
| 298 |
+
wgate = WGate(oracle.nqubits)
|
| 299 |
+
return wgate*oracle*qstate
|
| 300 |
+
|
| 301 |
+
|
| 302 |
+
def apply_grover(oracle, nqubits, iterations=None):
|
| 303 |
+
"""Applies grover's algorithm.
|
| 304 |
+
|
| 305 |
+
Parameters
|
| 306 |
+
==========
|
| 307 |
+
|
| 308 |
+
oracle : callable
|
| 309 |
+
The unknown callable function that returns true when applied to the
|
| 310 |
+
desired qubits and false otherwise.
|
| 311 |
+
|
| 312 |
+
Returns
|
| 313 |
+
=======
|
| 314 |
+
|
| 315 |
+
state : Expr
|
| 316 |
+
The resulting state after Grover's algorithm has been iterated.
|
| 317 |
+
|
| 318 |
+
Examples
|
| 319 |
+
========
|
| 320 |
+
|
| 321 |
+
Apply grover's algorithm to an even superposition of 2 qubits::
|
| 322 |
+
|
| 323 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 324 |
+
>>> from sympy.physics.quantum.qubit import IntQubit
|
| 325 |
+
>>> from sympy.physics.quantum.grover import apply_grover
|
| 326 |
+
>>> f = lambda qubits: qubits == IntQubit(2)
|
| 327 |
+
>>> qapply(apply_grover(f, 2))
|
| 328 |
+
|2>
|
| 329 |
+
|
| 330 |
+
"""
|
| 331 |
+
if nqubits <= 0:
|
| 332 |
+
raise QuantumError(
|
| 333 |
+
'Grover\'s algorithm needs nqubits > 0, received %r qubits'
|
| 334 |
+
% nqubits
|
| 335 |
+
)
|
| 336 |
+
if iterations is None:
|
| 337 |
+
iterations = floor(sqrt(2**nqubits)*(pi/4))
|
| 338 |
+
|
| 339 |
+
v = OracleGate(nqubits, oracle)
|
| 340 |
+
iterated = superposition_basis(nqubits)
|
| 341 |
+
for iter in range(iterations):
|
| 342 |
+
iterated = grover_iteration(iterated, v)
|
| 343 |
+
iterated = qapply(iterated)
|
| 344 |
+
|
| 345 |
+
return iterated
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/hilbert.py
ADDED
|
@@ -0,0 +1,653 @@
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|
| 1 |
+
"""Hilbert spaces for quantum mechanics.
|
| 2 |
+
|
| 3 |
+
Authors:
|
| 4 |
+
* Brian Granger
|
| 5 |
+
* Matt Curry
|
| 6 |
+
"""
|
| 7 |
+
|
| 8 |
+
from functools import reduce
|
| 9 |
+
|
| 10 |
+
from sympy.core.basic import Basic
|
| 11 |
+
from sympy.core.singleton import S
|
| 12 |
+
from sympy.core.sympify import sympify
|
| 13 |
+
from sympy.sets.sets import Interval
|
| 14 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 15 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 16 |
+
|
| 17 |
+
|
| 18 |
+
__all__ = [
|
| 19 |
+
'HilbertSpaceError',
|
| 20 |
+
'HilbertSpace',
|
| 21 |
+
'TensorProductHilbertSpace',
|
| 22 |
+
'TensorPowerHilbertSpace',
|
| 23 |
+
'DirectSumHilbertSpace',
|
| 24 |
+
'ComplexSpace',
|
| 25 |
+
'L2',
|
| 26 |
+
'FockSpace'
|
| 27 |
+
]
|
| 28 |
+
|
| 29 |
+
#-----------------------------------------------------------------------------
|
| 30 |
+
# Main objects
|
| 31 |
+
#-----------------------------------------------------------------------------
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
class HilbertSpaceError(QuantumError):
|
| 35 |
+
pass
|
| 36 |
+
|
| 37 |
+
#-----------------------------------------------------------------------------
|
| 38 |
+
# Main objects
|
| 39 |
+
#-----------------------------------------------------------------------------
|
| 40 |
+
|
| 41 |
+
|
| 42 |
+
class HilbertSpace(Basic):
|
| 43 |
+
"""An abstract Hilbert space for quantum mechanics.
|
| 44 |
+
|
| 45 |
+
In short, a Hilbert space is an abstract vector space that is complete
|
| 46 |
+
with inner products defined [1]_.
|
| 47 |
+
|
| 48 |
+
Examples
|
| 49 |
+
========
|
| 50 |
+
|
| 51 |
+
>>> from sympy.physics.quantum.hilbert import HilbertSpace
|
| 52 |
+
>>> hs = HilbertSpace()
|
| 53 |
+
>>> hs
|
| 54 |
+
H
|
| 55 |
+
|
| 56 |
+
References
|
| 57 |
+
==========
|
| 58 |
+
|
| 59 |
+
.. [1] https://en.wikipedia.org/wiki/Hilbert_space
|
| 60 |
+
"""
|
| 61 |
+
|
| 62 |
+
def __new__(cls):
|
| 63 |
+
obj = Basic.__new__(cls)
|
| 64 |
+
return obj
|
| 65 |
+
|
| 66 |
+
@property
|
| 67 |
+
def dimension(self):
|
| 68 |
+
"""Return the Hilbert dimension of the space."""
|
| 69 |
+
raise NotImplementedError('This Hilbert space has no dimension.')
|
| 70 |
+
|
| 71 |
+
def __add__(self, other):
|
| 72 |
+
return DirectSumHilbertSpace(self, other)
|
| 73 |
+
|
| 74 |
+
def __radd__(self, other):
|
| 75 |
+
return DirectSumHilbertSpace(other, self)
|
| 76 |
+
|
| 77 |
+
def __mul__(self, other):
|
| 78 |
+
return TensorProductHilbertSpace(self, other)
|
| 79 |
+
|
| 80 |
+
def __rmul__(self, other):
|
| 81 |
+
return TensorProductHilbertSpace(other, self)
|
| 82 |
+
|
| 83 |
+
def __pow__(self, other, mod=None):
|
| 84 |
+
if mod is not None:
|
| 85 |
+
raise ValueError('The third argument to __pow__ is not supported \
|
| 86 |
+
for Hilbert spaces.')
|
| 87 |
+
return TensorPowerHilbertSpace(self, other)
|
| 88 |
+
|
| 89 |
+
def __contains__(self, other):
|
| 90 |
+
"""Is the operator or state in this Hilbert space.
|
| 91 |
+
|
| 92 |
+
This is checked by comparing the classes of the Hilbert spaces, not
|
| 93 |
+
the instances. This is to allow Hilbert Spaces with symbolic
|
| 94 |
+
dimensions.
|
| 95 |
+
"""
|
| 96 |
+
if other.hilbert_space.__class__ == self.__class__:
|
| 97 |
+
return True
|
| 98 |
+
else:
|
| 99 |
+
return False
|
| 100 |
+
|
| 101 |
+
def _sympystr(self, printer, *args):
|
| 102 |
+
return 'H'
|
| 103 |
+
|
| 104 |
+
def _pretty(self, printer, *args):
|
| 105 |
+
ustr = '\N{LATIN CAPITAL LETTER H}'
|
| 106 |
+
return prettyForm(ustr)
|
| 107 |
+
|
| 108 |
+
def _latex(self, printer, *args):
|
| 109 |
+
return r'\mathcal{H}'
|
| 110 |
+
|
| 111 |
+
|
| 112 |
+
class ComplexSpace(HilbertSpace):
|
| 113 |
+
"""Finite dimensional Hilbert space of complex vectors.
|
| 114 |
+
|
| 115 |
+
The elements of this Hilbert space are n-dimensional complex valued
|
| 116 |
+
vectors with the usual inner product that takes the complex conjugate
|
| 117 |
+
of the vector on the right.
|
| 118 |
+
|
| 119 |
+
A classic example of this type of Hilbert space is spin-1/2, which is
|
| 120 |
+
``ComplexSpace(2)``. Generalizing to spin-s, the space is
|
| 121 |
+
``ComplexSpace(2*s+1)``. Quantum computing with N qubits is done with the
|
| 122 |
+
direct product space ``ComplexSpace(2)**N``.
|
| 123 |
+
|
| 124 |
+
Examples
|
| 125 |
+
========
|
| 126 |
+
|
| 127 |
+
>>> from sympy import symbols
|
| 128 |
+
>>> from sympy.physics.quantum.hilbert import ComplexSpace
|
| 129 |
+
>>> c1 = ComplexSpace(2)
|
| 130 |
+
>>> c1
|
| 131 |
+
C(2)
|
| 132 |
+
>>> c1.dimension
|
| 133 |
+
2
|
| 134 |
+
|
| 135 |
+
>>> n = symbols('n')
|
| 136 |
+
>>> c2 = ComplexSpace(n)
|
| 137 |
+
>>> c2
|
| 138 |
+
C(n)
|
| 139 |
+
>>> c2.dimension
|
| 140 |
+
n
|
| 141 |
+
|
| 142 |
+
"""
|
| 143 |
+
|
| 144 |
+
def __new__(cls, dimension):
|
| 145 |
+
dimension = sympify(dimension)
|
| 146 |
+
r = cls.eval(dimension)
|
| 147 |
+
if isinstance(r, Basic):
|
| 148 |
+
return r
|
| 149 |
+
obj = Basic.__new__(cls, dimension)
|
| 150 |
+
return obj
|
| 151 |
+
|
| 152 |
+
@classmethod
|
| 153 |
+
def eval(cls, dimension):
|
| 154 |
+
if len(dimension.atoms()) == 1:
|
| 155 |
+
if not (dimension.is_Integer and dimension > 0 or dimension is S.Infinity
|
| 156 |
+
or dimension.is_Symbol):
|
| 157 |
+
raise TypeError('The dimension of a ComplexSpace can only'
|
| 158 |
+
'be a positive integer, oo, or a Symbol: %r'
|
| 159 |
+
% dimension)
|
| 160 |
+
else:
|
| 161 |
+
for dim in dimension.atoms():
|
| 162 |
+
if not (dim.is_Integer or dim is S.Infinity or dim.is_Symbol):
|
| 163 |
+
raise TypeError('The dimension of a ComplexSpace can only'
|
| 164 |
+
' contain integers, oo, or a Symbol: %r'
|
| 165 |
+
% dim)
|
| 166 |
+
|
| 167 |
+
@property
|
| 168 |
+
def dimension(self):
|
| 169 |
+
return self.args[0]
|
| 170 |
+
|
| 171 |
+
def _sympyrepr(self, printer, *args):
|
| 172 |
+
return "%s(%s)" % (self.__class__.__name__,
|
| 173 |
+
printer._print(self.dimension, *args))
|
| 174 |
+
|
| 175 |
+
def _sympystr(self, printer, *args):
|
| 176 |
+
return "C(%s)" % printer._print(self.dimension, *args)
|
| 177 |
+
|
| 178 |
+
def _pretty(self, printer, *args):
|
| 179 |
+
ustr = '\N{LATIN CAPITAL LETTER C}'
|
| 180 |
+
pform_exp = printer._print(self.dimension, *args)
|
| 181 |
+
pform_base = prettyForm(ustr)
|
| 182 |
+
return pform_base**pform_exp
|
| 183 |
+
|
| 184 |
+
def _latex(self, printer, *args):
|
| 185 |
+
return r'\mathcal{C}^{%s}' % printer._print(self.dimension, *args)
|
| 186 |
+
|
| 187 |
+
|
| 188 |
+
class L2(HilbertSpace):
|
| 189 |
+
"""The Hilbert space of square integrable functions on an interval.
|
| 190 |
+
|
| 191 |
+
An L2 object takes in a single SymPy Interval argument which represents
|
| 192 |
+
the interval its functions (vectors) are defined on.
|
| 193 |
+
|
| 194 |
+
Examples
|
| 195 |
+
========
|
| 196 |
+
|
| 197 |
+
>>> from sympy import Interval, oo
|
| 198 |
+
>>> from sympy.physics.quantum.hilbert import L2
|
| 199 |
+
>>> hs = L2(Interval(0,oo))
|
| 200 |
+
>>> hs
|
| 201 |
+
L2(Interval(0, oo))
|
| 202 |
+
>>> hs.dimension
|
| 203 |
+
oo
|
| 204 |
+
>>> hs.interval
|
| 205 |
+
Interval(0, oo)
|
| 206 |
+
|
| 207 |
+
"""
|
| 208 |
+
|
| 209 |
+
def __new__(cls, interval):
|
| 210 |
+
if not isinstance(interval, Interval):
|
| 211 |
+
raise TypeError('L2 interval must be an Interval instance: %r'
|
| 212 |
+
% interval)
|
| 213 |
+
obj = Basic.__new__(cls, interval)
|
| 214 |
+
return obj
|
| 215 |
+
|
| 216 |
+
@property
|
| 217 |
+
def dimension(self):
|
| 218 |
+
return S.Infinity
|
| 219 |
+
|
| 220 |
+
@property
|
| 221 |
+
def interval(self):
|
| 222 |
+
return self.args[0]
|
| 223 |
+
|
| 224 |
+
def _sympyrepr(self, printer, *args):
|
| 225 |
+
return "L2(%s)" % printer._print(self.interval, *args)
|
| 226 |
+
|
| 227 |
+
def _sympystr(self, printer, *args):
|
| 228 |
+
return "L2(%s)" % printer._print(self.interval, *args)
|
| 229 |
+
|
| 230 |
+
def _pretty(self, printer, *args):
|
| 231 |
+
pform_exp = prettyForm('2')
|
| 232 |
+
pform_base = prettyForm('L')
|
| 233 |
+
return pform_base**pform_exp
|
| 234 |
+
|
| 235 |
+
def _latex(self, printer, *args):
|
| 236 |
+
interval = printer._print(self.interval, *args)
|
| 237 |
+
return r'{\mathcal{L}^2}\left( %s \right)' % interval
|
| 238 |
+
|
| 239 |
+
|
| 240 |
+
class FockSpace(HilbertSpace):
|
| 241 |
+
"""The Hilbert space for second quantization.
|
| 242 |
+
|
| 243 |
+
Technically, this Hilbert space is a infinite direct sum of direct
|
| 244 |
+
products of single particle Hilbert spaces [1]_. This is a mess, so we have
|
| 245 |
+
a class to represent it directly.
|
| 246 |
+
|
| 247 |
+
Examples
|
| 248 |
+
========
|
| 249 |
+
|
| 250 |
+
>>> from sympy.physics.quantum.hilbert import FockSpace
|
| 251 |
+
>>> hs = FockSpace()
|
| 252 |
+
>>> hs
|
| 253 |
+
F
|
| 254 |
+
>>> hs.dimension
|
| 255 |
+
oo
|
| 256 |
+
|
| 257 |
+
References
|
| 258 |
+
==========
|
| 259 |
+
|
| 260 |
+
.. [1] https://en.wikipedia.org/wiki/Fock_space
|
| 261 |
+
"""
|
| 262 |
+
|
| 263 |
+
def __new__(cls):
|
| 264 |
+
obj = Basic.__new__(cls)
|
| 265 |
+
return obj
|
| 266 |
+
|
| 267 |
+
@property
|
| 268 |
+
def dimension(self):
|
| 269 |
+
return S.Infinity
|
| 270 |
+
|
| 271 |
+
def _sympyrepr(self, printer, *args):
|
| 272 |
+
return "FockSpace()"
|
| 273 |
+
|
| 274 |
+
def _sympystr(self, printer, *args):
|
| 275 |
+
return "F"
|
| 276 |
+
|
| 277 |
+
def _pretty(self, printer, *args):
|
| 278 |
+
ustr = '\N{LATIN CAPITAL LETTER F}'
|
| 279 |
+
return prettyForm(ustr)
|
| 280 |
+
|
| 281 |
+
def _latex(self, printer, *args):
|
| 282 |
+
return r'\mathcal{F}'
|
| 283 |
+
|
| 284 |
+
|
| 285 |
+
class TensorProductHilbertSpace(HilbertSpace):
|
| 286 |
+
"""A tensor product of Hilbert spaces [1]_.
|
| 287 |
+
|
| 288 |
+
The tensor product between Hilbert spaces is represented by the
|
| 289 |
+
operator ``*`` Products of the same Hilbert space will be combined into
|
| 290 |
+
tensor powers.
|
| 291 |
+
|
| 292 |
+
A ``TensorProductHilbertSpace`` object takes in an arbitrary number of
|
| 293 |
+
``HilbertSpace`` objects as its arguments. In addition, multiplication of
|
| 294 |
+
``HilbertSpace`` objects will automatically return this tensor product
|
| 295 |
+
object.
|
| 296 |
+
|
| 297 |
+
Examples
|
| 298 |
+
========
|
| 299 |
+
|
| 300 |
+
>>> from sympy.physics.quantum.hilbert import ComplexSpace, FockSpace
|
| 301 |
+
>>> from sympy import symbols
|
| 302 |
+
|
| 303 |
+
>>> c = ComplexSpace(2)
|
| 304 |
+
>>> f = FockSpace()
|
| 305 |
+
>>> hs = c*f
|
| 306 |
+
>>> hs
|
| 307 |
+
C(2)*F
|
| 308 |
+
>>> hs.dimension
|
| 309 |
+
oo
|
| 310 |
+
>>> hs.spaces
|
| 311 |
+
(C(2), F)
|
| 312 |
+
|
| 313 |
+
>>> c1 = ComplexSpace(2)
|
| 314 |
+
>>> n = symbols('n')
|
| 315 |
+
>>> c2 = ComplexSpace(n)
|
| 316 |
+
>>> hs = c1*c2
|
| 317 |
+
>>> hs
|
| 318 |
+
C(2)*C(n)
|
| 319 |
+
>>> hs.dimension
|
| 320 |
+
2*n
|
| 321 |
+
|
| 322 |
+
References
|
| 323 |
+
==========
|
| 324 |
+
|
| 325 |
+
.. [1] https://en.wikipedia.org/wiki/Hilbert_space#Tensor_products
|
| 326 |
+
"""
|
| 327 |
+
|
| 328 |
+
def __new__(cls, *args):
|
| 329 |
+
r = cls.eval(args)
|
| 330 |
+
if isinstance(r, Basic):
|
| 331 |
+
return r
|
| 332 |
+
obj = Basic.__new__(cls, *args)
|
| 333 |
+
return obj
|
| 334 |
+
|
| 335 |
+
@classmethod
|
| 336 |
+
def eval(cls, args):
|
| 337 |
+
"""Evaluates the direct product."""
|
| 338 |
+
new_args = []
|
| 339 |
+
recall = False
|
| 340 |
+
#flatten arguments
|
| 341 |
+
for arg in args:
|
| 342 |
+
if isinstance(arg, TensorProductHilbertSpace):
|
| 343 |
+
new_args.extend(arg.args)
|
| 344 |
+
recall = True
|
| 345 |
+
elif isinstance(arg, (HilbertSpace, TensorPowerHilbertSpace)):
|
| 346 |
+
new_args.append(arg)
|
| 347 |
+
else:
|
| 348 |
+
raise TypeError('Hilbert spaces can only be multiplied by \
|
| 349 |
+
other Hilbert spaces: %r' % arg)
|
| 350 |
+
#combine like arguments into direct powers
|
| 351 |
+
comb_args = []
|
| 352 |
+
prev_arg = None
|
| 353 |
+
for new_arg in new_args:
|
| 354 |
+
if prev_arg is not None:
|
| 355 |
+
if isinstance(new_arg, TensorPowerHilbertSpace) and \
|
| 356 |
+
isinstance(prev_arg, TensorPowerHilbertSpace) and \
|
| 357 |
+
new_arg.base == prev_arg.base:
|
| 358 |
+
prev_arg = new_arg.base**(new_arg.exp + prev_arg.exp)
|
| 359 |
+
elif isinstance(new_arg, TensorPowerHilbertSpace) and \
|
| 360 |
+
new_arg.base == prev_arg:
|
| 361 |
+
prev_arg = prev_arg**(new_arg.exp + 1)
|
| 362 |
+
elif isinstance(prev_arg, TensorPowerHilbertSpace) and \
|
| 363 |
+
new_arg == prev_arg.base:
|
| 364 |
+
prev_arg = new_arg**(prev_arg.exp + 1)
|
| 365 |
+
elif new_arg == prev_arg:
|
| 366 |
+
prev_arg = new_arg**2
|
| 367 |
+
else:
|
| 368 |
+
comb_args.append(prev_arg)
|
| 369 |
+
prev_arg = new_arg
|
| 370 |
+
elif prev_arg is None:
|
| 371 |
+
prev_arg = new_arg
|
| 372 |
+
comb_args.append(prev_arg)
|
| 373 |
+
if recall:
|
| 374 |
+
return TensorProductHilbertSpace(*comb_args)
|
| 375 |
+
elif len(comb_args) == 1:
|
| 376 |
+
return TensorPowerHilbertSpace(comb_args[0].base, comb_args[0].exp)
|
| 377 |
+
else:
|
| 378 |
+
return None
|
| 379 |
+
|
| 380 |
+
@property
|
| 381 |
+
def dimension(self):
|
| 382 |
+
arg_list = [arg.dimension for arg in self.args]
|
| 383 |
+
if S.Infinity in arg_list:
|
| 384 |
+
return S.Infinity
|
| 385 |
+
else:
|
| 386 |
+
return reduce(lambda x, y: x*y, arg_list)
|
| 387 |
+
|
| 388 |
+
@property
|
| 389 |
+
def spaces(self):
|
| 390 |
+
"""A tuple of the Hilbert spaces in this tensor product."""
|
| 391 |
+
return self.args
|
| 392 |
+
|
| 393 |
+
def _spaces_printer(self, printer, *args):
|
| 394 |
+
spaces_strs = []
|
| 395 |
+
for arg in self.args:
|
| 396 |
+
s = printer._print(arg, *args)
|
| 397 |
+
if isinstance(arg, DirectSumHilbertSpace):
|
| 398 |
+
s = '(%s)' % s
|
| 399 |
+
spaces_strs.append(s)
|
| 400 |
+
return spaces_strs
|
| 401 |
+
|
| 402 |
+
def _sympyrepr(self, printer, *args):
|
| 403 |
+
spaces_reprs = self._spaces_printer(printer, *args)
|
| 404 |
+
return "TensorProductHilbertSpace(%s)" % ','.join(spaces_reprs)
|
| 405 |
+
|
| 406 |
+
def _sympystr(self, printer, *args):
|
| 407 |
+
spaces_strs = self._spaces_printer(printer, *args)
|
| 408 |
+
return '*'.join(spaces_strs)
|
| 409 |
+
|
| 410 |
+
def _pretty(self, printer, *args):
|
| 411 |
+
length = len(self.args)
|
| 412 |
+
pform = printer._print('', *args)
|
| 413 |
+
for i in range(length):
|
| 414 |
+
next_pform = printer._print(self.args[i], *args)
|
| 415 |
+
if isinstance(self.args[i], (DirectSumHilbertSpace,
|
| 416 |
+
TensorProductHilbertSpace)):
|
| 417 |
+
next_pform = prettyForm(
|
| 418 |
+
*next_pform.parens(left='(', right=')')
|
| 419 |
+
)
|
| 420 |
+
pform = prettyForm(*pform.right(next_pform))
|
| 421 |
+
if i != length - 1:
|
| 422 |
+
if printer._use_unicode:
|
| 423 |
+
pform = prettyForm(*pform.right(' ' + '\N{N-ARY CIRCLED TIMES OPERATOR}' + ' '))
|
| 424 |
+
else:
|
| 425 |
+
pform = prettyForm(*pform.right(' x '))
|
| 426 |
+
return pform
|
| 427 |
+
|
| 428 |
+
def _latex(self, printer, *args):
|
| 429 |
+
length = len(self.args)
|
| 430 |
+
s = ''
|
| 431 |
+
for i in range(length):
|
| 432 |
+
arg_s = printer._print(self.args[i], *args)
|
| 433 |
+
if isinstance(self.args[i], (DirectSumHilbertSpace,
|
| 434 |
+
TensorProductHilbertSpace)):
|
| 435 |
+
arg_s = r'\left(%s\right)' % arg_s
|
| 436 |
+
s = s + arg_s
|
| 437 |
+
if i != length - 1:
|
| 438 |
+
s = s + r'\otimes '
|
| 439 |
+
return s
|
| 440 |
+
|
| 441 |
+
|
| 442 |
+
class DirectSumHilbertSpace(HilbertSpace):
|
| 443 |
+
"""A direct sum of Hilbert spaces [1]_.
|
| 444 |
+
|
| 445 |
+
This class uses the ``+`` operator to represent direct sums between
|
| 446 |
+
different Hilbert spaces.
|
| 447 |
+
|
| 448 |
+
A ``DirectSumHilbertSpace`` object takes in an arbitrary number of
|
| 449 |
+
``HilbertSpace`` objects as its arguments. Also, addition of
|
| 450 |
+
``HilbertSpace`` objects will automatically return a direct sum object.
|
| 451 |
+
|
| 452 |
+
Examples
|
| 453 |
+
========
|
| 454 |
+
|
| 455 |
+
>>> from sympy.physics.quantum.hilbert import ComplexSpace, FockSpace
|
| 456 |
+
|
| 457 |
+
>>> c = ComplexSpace(2)
|
| 458 |
+
>>> f = FockSpace()
|
| 459 |
+
>>> hs = c+f
|
| 460 |
+
>>> hs
|
| 461 |
+
C(2)+F
|
| 462 |
+
>>> hs.dimension
|
| 463 |
+
oo
|
| 464 |
+
>>> list(hs.spaces)
|
| 465 |
+
[C(2), F]
|
| 466 |
+
|
| 467 |
+
References
|
| 468 |
+
==========
|
| 469 |
+
|
| 470 |
+
.. [1] https://en.wikipedia.org/wiki/Hilbert_space#Direct_sums
|
| 471 |
+
"""
|
| 472 |
+
def __new__(cls, *args):
|
| 473 |
+
r = cls.eval(args)
|
| 474 |
+
if isinstance(r, Basic):
|
| 475 |
+
return r
|
| 476 |
+
obj = Basic.__new__(cls, *args)
|
| 477 |
+
return obj
|
| 478 |
+
|
| 479 |
+
@classmethod
|
| 480 |
+
def eval(cls, args):
|
| 481 |
+
"""Evaluates the direct product."""
|
| 482 |
+
new_args = []
|
| 483 |
+
recall = False
|
| 484 |
+
#flatten arguments
|
| 485 |
+
for arg in args:
|
| 486 |
+
if isinstance(arg, DirectSumHilbertSpace):
|
| 487 |
+
new_args.extend(arg.args)
|
| 488 |
+
recall = True
|
| 489 |
+
elif isinstance(arg, HilbertSpace):
|
| 490 |
+
new_args.append(arg)
|
| 491 |
+
else:
|
| 492 |
+
raise TypeError('Hilbert spaces can only be summed with other \
|
| 493 |
+
Hilbert spaces: %r' % arg)
|
| 494 |
+
if recall:
|
| 495 |
+
return DirectSumHilbertSpace(*new_args)
|
| 496 |
+
else:
|
| 497 |
+
return None
|
| 498 |
+
|
| 499 |
+
@property
|
| 500 |
+
def dimension(self):
|
| 501 |
+
arg_list = [arg.dimension for arg in self.args]
|
| 502 |
+
if S.Infinity in arg_list:
|
| 503 |
+
return S.Infinity
|
| 504 |
+
else:
|
| 505 |
+
return reduce(lambda x, y: x + y, arg_list)
|
| 506 |
+
|
| 507 |
+
@property
|
| 508 |
+
def spaces(self):
|
| 509 |
+
"""A tuple of the Hilbert spaces in this direct sum."""
|
| 510 |
+
return self.args
|
| 511 |
+
|
| 512 |
+
def _sympyrepr(self, printer, *args):
|
| 513 |
+
spaces_reprs = [printer._print(arg, *args) for arg in self.args]
|
| 514 |
+
return "DirectSumHilbertSpace(%s)" % ','.join(spaces_reprs)
|
| 515 |
+
|
| 516 |
+
def _sympystr(self, printer, *args):
|
| 517 |
+
spaces_strs = [printer._print(arg, *args) for arg in self.args]
|
| 518 |
+
return '+'.join(spaces_strs)
|
| 519 |
+
|
| 520 |
+
def _pretty(self, printer, *args):
|
| 521 |
+
length = len(self.args)
|
| 522 |
+
pform = printer._print('', *args)
|
| 523 |
+
for i in range(length):
|
| 524 |
+
next_pform = printer._print(self.args[i], *args)
|
| 525 |
+
if isinstance(self.args[i], (DirectSumHilbertSpace,
|
| 526 |
+
TensorProductHilbertSpace)):
|
| 527 |
+
next_pform = prettyForm(
|
| 528 |
+
*next_pform.parens(left='(', right=')')
|
| 529 |
+
)
|
| 530 |
+
pform = prettyForm(*pform.right(next_pform))
|
| 531 |
+
if i != length - 1:
|
| 532 |
+
if printer._use_unicode:
|
| 533 |
+
pform = prettyForm(*pform.right(' \N{CIRCLED PLUS} '))
|
| 534 |
+
else:
|
| 535 |
+
pform = prettyForm(*pform.right(' + '))
|
| 536 |
+
return pform
|
| 537 |
+
|
| 538 |
+
def _latex(self, printer, *args):
|
| 539 |
+
length = len(self.args)
|
| 540 |
+
s = ''
|
| 541 |
+
for i in range(length):
|
| 542 |
+
arg_s = printer._print(self.args[i], *args)
|
| 543 |
+
if isinstance(self.args[i], (DirectSumHilbertSpace,
|
| 544 |
+
TensorProductHilbertSpace)):
|
| 545 |
+
arg_s = r'\left(%s\right)' % arg_s
|
| 546 |
+
s = s + arg_s
|
| 547 |
+
if i != length - 1:
|
| 548 |
+
s = s + r'\oplus '
|
| 549 |
+
return s
|
| 550 |
+
|
| 551 |
+
|
| 552 |
+
class TensorPowerHilbertSpace(HilbertSpace):
|
| 553 |
+
"""An exponentiated Hilbert space [1]_.
|
| 554 |
+
|
| 555 |
+
Tensor powers (repeated tensor products) are represented by the
|
| 556 |
+
operator ``**`` Identical Hilbert spaces that are multiplied together
|
| 557 |
+
will be automatically combined into a single tensor power object.
|
| 558 |
+
|
| 559 |
+
Any Hilbert space, product, or sum may be raised to a tensor power. The
|
| 560 |
+
``TensorPowerHilbertSpace`` takes two arguments: the Hilbert space; and the
|
| 561 |
+
tensor power (number).
|
| 562 |
+
|
| 563 |
+
Examples
|
| 564 |
+
========
|
| 565 |
+
|
| 566 |
+
>>> from sympy.physics.quantum.hilbert import ComplexSpace, FockSpace
|
| 567 |
+
>>> from sympy import symbols
|
| 568 |
+
|
| 569 |
+
>>> n = symbols('n')
|
| 570 |
+
>>> c = ComplexSpace(2)
|
| 571 |
+
>>> hs = c**n
|
| 572 |
+
>>> hs
|
| 573 |
+
C(2)**n
|
| 574 |
+
>>> hs.dimension
|
| 575 |
+
2**n
|
| 576 |
+
|
| 577 |
+
>>> c = ComplexSpace(2)
|
| 578 |
+
>>> c*c
|
| 579 |
+
C(2)**2
|
| 580 |
+
>>> f = FockSpace()
|
| 581 |
+
>>> c*f*f
|
| 582 |
+
C(2)*F**2
|
| 583 |
+
|
| 584 |
+
References
|
| 585 |
+
==========
|
| 586 |
+
|
| 587 |
+
.. [1] https://en.wikipedia.org/wiki/Hilbert_space#Tensor_products
|
| 588 |
+
"""
|
| 589 |
+
|
| 590 |
+
def __new__(cls, *args):
|
| 591 |
+
r = cls.eval(args)
|
| 592 |
+
if isinstance(r, Basic):
|
| 593 |
+
return r
|
| 594 |
+
return Basic.__new__(cls, *r)
|
| 595 |
+
|
| 596 |
+
@classmethod
|
| 597 |
+
def eval(cls, args):
|
| 598 |
+
new_args = args[0], sympify(args[1])
|
| 599 |
+
exp = new_args[1]
|
| 600 |
+
#simplify hs**1 -> hs
|
| 601 |
+
if exp is S.One:
|
| 602 |
+
return args[0]
|
| 603 |
+
#simplify hs**0 -> 1
|
| 604 |
+
if exp is S.Zero:
|
| 605 |
+
return S.One
|
| 606 |
+
#check (and allow) for hs**(x+42+y...) case
|
| 607 |
+
if len(exp.atoms()) == 1:
|
| 608 |
+
if not (exp.is_Integer and exp >= 0 or exp.is_Symbol):
|
| 609 |
+
raise ValueError('Hilbert spaces can only be raised to \
|
| 610 |
+
positive integers or Symbols: %r' % exp)
|
| 611 |
+
else:
|
| 612 |
+
for power in exp.atoms():
|
| 613 |
+
if not (power.is_Integer or power.is_Symbol):
|
| 614 |
+
raise ValueError('Tensor powers can only contain integers \
|
| 615 |
+
or Symbols: %r' % power)
|
| 616 |
+
return new_args
|
| 617 |
+
|
| 618 |
+
@property
|
| 619 |
+
def base(self):
|
| 620 |
+
return self.args[0]
|
| 621 |
+
|
| 622 |
+
@property
|
| 623 |
+
def exp(self):
|
| 624 |
+
return self.args[1]
|
| 625 |
+
|
| 626 |
+
@property
|
| 627 |
+
def dimension(self):
|
| 628 |
+
if self.base.dimension is S.Infinity:
|
| 629 |
+
return S.Infinity
|
| 630 |
+
else:
|
| 631 |
+
return self.base.dimension**self.exp
|
| 632 |
+
|
| 633 |
+
def _sympyrepr(self, printer, *args):
|
| 634 |
+
return "TensorPowerHilbertSpace(%s,%s)" % (printer._print(self.base,
|
| 635 |
+
*args), printer._print(self.exp, *args))
|
| 636 |
+
|
| 637 |
+
def _sympystr(self, printer, *args):
|
| 638 |
+
return "%s**%s" % (printer._print(self.base, *args),
|
| 639 |
+
printer._print(self.exp, *args))
|
| 640 |
+
|
| 641 |
+
def _pretty(self, printer, *args):
|
| 642 |
+
pform_exp = printer._print(self.exp, *args)
|
| 643 |
+
if printer._use_unicode:
|
| 644 |
+
pform_exp = prettyForm(*pform_exp.left(prettyForm('\N{N-ARY CIRCLED TIMES OPERATOR}')))
|
| 645 |
+
else:
|
| 646 |
+
pform_exp = prettyForm(*pform_exp.left(prettyForm('x')))
|
| 647 |
+
pform_base = printer._print(self.base, *args)
|
| 648 |
+
return pform_base**pform_exp
|
| 649 |
+
|
| 650 |
+
def _latex(self, printer, *args):
|
| 651 |
+
base = printer._print(self.base, *args)
|
| 652 |
+
exp = printer._print(self.exp, *args)
|
| 653 |
+
return r'{%s}^{\otimes %s}' % (base, exp)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/matrixcache.py
ADDED
|
@@ -0,0 +1,103 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""A cache for storing small matrices in multiple formats."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import (I, Rational, pi)
|
| 4 |
+
from sympy.core.power import Pow
|
| 5 |
+
from sympy.functions.elementary.exponential import exp
|
| 6 |
+
from sympy.matrices.dense import Matrix
|
| 7 |
+
|
| 8 |
+
from sympy.physics.quantum.matrixutils import (
|
| 9 |
+
to_sympy, to_numpy, to_scipy_sparse
|
| 10 |
+
)
|
| 11 |
+
|
| 12 |
+
|
| 13 |
+
class MatrixCache:
|
| 14 |
+
"""A cache for small matrices in different formats.
|
| 15 |
+
|
| 16 |
+
This class takes small matrices in the standard ``sympy.Matrix`` format,
|
| 17 |
+
and then converts these to both ``numpy.matrix`` and
|
| 18 |
+
``scipy.sparse.csr_matrix`` matrices. These matrices are then stored for
|
| 19 |
+
future recovery.
|
| 20 |
+
"""
|
| 21 |
+
|
| 22 |
+
def __init__(self, dtype='complex'):
|
| 23 |
+
self._cache = {}
|
| 24 |
+
self.dtype = dtype
|
| 25 |
+
|
| 26 |
+
def cache_matrix(self, name, m):
|
| 27 |
+
"""Cache a matrix by its name.
|
| 28 |
+
|
| 29 |
+
Parameters
|
| 30 |
+
----------
|
| 31 |
+
name : str
|
| 32 |
+
A descriptive name for the matrix, like "identity2".
|
| 33 |
+
m : list of lists
|
| 34 |
+
The raw matrix data as a SymPy Matrix.
|
| 35 |
+
"""
|
| 36 |
+
try:
|
| 37 |
+
self._sympy_matrix(name, m)
|
| 38 |
+
except ImportError:
|
| 39 |
+
pass
|
| 40 |
+
try:
|
| 41 |
+
self._numpy_matrix(name, m)
|
| 42 |
+
except ImportError:
|
| 43 |
+
pass
|
| 44 |
+
try:
|
| 45 |
+
self._scipy_sparse_matrix(name, m)
|
| 46 |
+
except ImportError:
|
| 47 |
+
pass
|
| 48 |
+
|
| 49 |
+
def get_matrix(self, name, format):
|
| 50 |
+
"""Get a cached matrix by name and format.
|
| 51 |
+
|
| 52 |
+
Parameters
|
| 53 |
+
----------
|
| 54 |
+
name : str
|
| 55 |
+
A descriptive name for the matrix, like "identity2".
|
| 56 |
+
format : str
|
| 57 |
+
The format desired ('sympy', 'numpy', 'scipy.sparse')
|
| 58 |
+
"""
|
| 59 |
+
m = self._cache.get((name, format))
|
| 60 |
+
if m is not None:
|
| 61 |
+
return m
|
| 62 |
+
raise NotImplementedError(
|
| 63 |
+
'Matrix with name %s and format %s is not available.' %
|
| 64 |
+
(name, format)
|
| 65 |
+
)
|
| 66 |
+
|
| 67 |
+
def _store_matrix(self, name, format, m):
|
| 68 |
+
self._cache[(name, format)] = m
|
| 69 |
+
|
| 70 |
+
def _sympy_matrix(self, name, m):
|
| 71 |
+
self._store_matrix(name, 'sympy', to_sympy(m))
|
| 72 |
+
|
| 73 |
+
def _numpy_matrix(self, name, m):
|
| 74 |
+
m = to_numpy(m, dtype=self.dtype)
|
| 75 |
+
self._store_matrix(name, 'numpy', m)
|
| 76 |
+
|
| 77 |
+
def _scipy_sparse_matrix(self, name, m):
|
| 78 |
+
# TODO: explore different sparse formats. But sparse.kron will use
|
| 79 |
+
# coo in most cases, so we use that here.
|
| 80 |
+
m = to_scipy_sparse(m, dtype=self.dtype)
|
| 81 |
+
self._store_matrix(name, 'scipy.sparse', m)
|
| 82 |
+
|
| 83 |
+
|
| 84 |
+
sqrt2_inv = Pow(2, Rational(-1, 2), evaluate=False)
|
| 85 |
+
|
| 86 |
+
# Save the common matrices that we will need
|
| 87 |
+
matrix_cache = MatrixCache()
|
| 88 |
+
matrix_cache.cache_matrix('eye2', Matrix([[1, 0], [0, 1]]))
|
| 89 |
+
matrix_cache.cache_matrix('op11', Matrix([[0, 0], [0, 1]])) # |1><1|
|
| 90 |
+
matrix_cache.cache_matrix('op00', Matrix([[1, 0], [0, 0]])) # |0><0|
|
| 91 |
+
matrix_cache.cache_matrix('op10', Matrix([[0, 0], [1, 0]])) # |1><0|
|
| 92 |
+
matrix_cache.cache_matrix('op01', Matrix([[0, 1], [0, 0]])) # |0><1|
|
| 93 |
+
matrix_cache.cache_matrix('X', Matrix([[0, 1], [1, 0]]))
|
| 94 |
+
matrix_cache.cache_matrix('Y', Matrix([[0, -I], [I, 0]]))
|
| 95 |
+
matrix_cache.cache_matrix('Z', Matrix([[1, 0], [0, -1]]))
|
| 96 |
+
matrix_cache.cache_matrix('S', Matrix([[1, 0], [0, I]]))
|
| 97 |
+
matrix_cache.cache_matrix('T', Matrix([[1, 0], [0, exp(I*pi/4)]]))
|
| 98 |
+
matrix_cache.cache_matrix('H', sqrt2_inv*Matrix([[1, 1], [1, -1]]))
|
| 99 |
+
matrix_cache.cache_matrix('Hsqrt2', Matrix([[1, 1], [1, -1]]))
|
| 100 |
+
matrix_cache.cache_matrix(
|
| 101 |
+
'SWAP', Matrix([[1, 0, 0, 0], [0, 0, 1, 0], [0, 1, 0, 0], [0, 0, 0, 1]]))
|
| 102 |
+
matrix_cache.cache_matrix('ZX', sqrt2_inv*Matrix([[1, 1], [1, -1]]))
|
| 103 |
+
matrix_cache.cache_matrix('ZY', Matrix([[I, 0], [0, -I]]))
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/matrixutils.py
ADDED
|
@@ -0,0 +1,272 @@
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|
|
|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
|
|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Utilities to deal with sympy.Matrix, numpy and scipy.sparse."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.expr import Expr
|
| 4 |
+
from sympy.core.numbers import I
|
| 5 |
+
from sympy.core.singleton import S
|
| 6 |
+
from sympy.matrices.matrixbase import MatrixBase
|
| 7 |
+
from sympy.matrices import eye, zeros
|
| 8 |
+
from sympy.external import import_module
|
| 9 |
+
|
| 10 |
+
__all__ = [
|
| 11 |
+
'numpy_ndarray',
|
| 12 |
+
'scipy_sparse_matrix',
|
| 13 |
+
'sympy_to_numpy',
|
| 14 |
+
'sympy_to_scipy_sparse',
|
| 15 |
+
'numpy_to_sympy',
|
| 16 |
+
'scipy_sparse_to_sympy',
|
| 17 |
+
'flatten_scalar',
|
| 18 |
+
'matrix_dagger',
|
| 19 |
+
'to_sympy',
|
| 20 |
+
'to_numpy',
|
| 21 |
+
'to_scipy_sparse',
|
| 22 |
+
'matrix_tensor_product',
|
| 23 |
+
'matrix_zeros'
|
| 24 |
+
]
|
| 25 |
+
|
| 26 |
+
# Conditionally define the base classes for numpy and scipy.sparse arrays
|
| 27 |
+
# for use in isinstance tests.
|
| 28 |
+
|
| 29 |
+
np = import_module('numpy')
|
| 30 |
+
if not np:
|
| 31 |
+
class numpy_ndarray:
|
| 32 |
+
pass
|
| 33 |
+
else:
|
| 34 |
+
numpy_ndarray = np.ndarray # type: ignore
|
| 35 |
+
|
| 36 |
+
scipy = import_module('scipy', import_kwargs={'fromlist': ['sparse']})
|
| 37 |
+
if not scipy:
|
| 38 |
+
class scipy_sparse_matrix:
|
| 39 |
+
pass
|
| 40 |
+
sparse = None
|
| 41 |
+
else:
|
| 42 |
+
sparse = scipy.sparse
|
| 43 |
+
scipy_sparse_matrix = sparse.spmatrix # type: ignore
|
| 44 |
+
|
| 45 |
+
|
| 46 |
+
def sympy_to_numpy(m, **options):
|
| 47 |
+
"""Convert a SymPy Matrix/complex number to a numpy matrix or scalar."""
|
| 48 |
+
if not np:
|
| 49 |
+
raise ImportError
|
| 50 |
+
dtype = options.get('dtype', 'complex')
|
| 51 |
+
if isinstance(m, MatrixBase):
|
| 52 |
+
return np.array(m.tolist(), dtype=dtype)
|
| 53 |
+
elif isinstance(m, Expr):
|
| 54 |
+
if m.is_Number or m.is_NumberSymbol or m == I:
|
| 55 |
+
return complex(m)
|
| 56 |
+
raise TypeError('Expected MatrixBase or complex scalar, got: %r' % m)
|
| 57 |
+
|
| 58 |
+
|
| 59 |
+
def sympy_to_scipy_sparse(m, **options):
|
| 60 |
+
"""Convert a SymPy Matrix/complex number to a numpy matrix or scalar."""
|
| 61 |
+
if not np or not sparse:
|
| 62 |
+
raise ImportError
|
| 63 |
+
dtype = options.get('dtype', 'complex')
|
| 64 |
+
if isinstance(m, MatrixBase):
|
| 65 |
+
return sparse.csr_matrix(np.array(m.tolist(), dtype=dtype))
|
| 66 |
+
elif isinstance(m, Expr):
|
| 67 |
+
if m.is_Number or m.is_NumberSymbol or m == I:
|
| 68 |
+
return complex(m)
|
| 69 |
+
raise TypeError('Expected MatrixBase or complex scalar, got: %r' % m)
|
| 70 |
+
|
| 71 |
+
|
| 72 |
+
def scipy_sparse_to_sympy(m, **options):
|
| 73 |
+
"""Convert a scipy.sparse matrix to a SymPy matrix."""
|
| 74 |
+
return MatrixBase(m.todense())
|
| 75 |
+
|
| 76 |
+
|
| 77 |
+
def numpy_to_sympy(m, **options):
|
| 78 |
+
"""Convert a numpy matrix to a SymPy matrix."""
|
| 79 |
+
return MatrixBase(m)
|
| 80 |
+
|
| 81 |
+
|
| 82 |
+
def to_sympy(m, **options):
|
| 83 |
+
"""Convert a numpy/scipy.sparse matrix to a SymPy matrix."""
|
| 84 |
+
if isinstance(m, MatrixBase):
|
| 85 |
+
return m
|
| 86 |
+
elif isinstance(m, numpy_ndarray):
|
| 87 |
+
return numpy_to_sympy(m)
|
| 88 |
+
elif isinstance(m, scipy_sparse_matrix):
|
| 89 |
+
return scipy_sparse_to_sympy(m)
|
| 90 |
+
elif isinstance(m, Expr):
|
| 91 |
+
return m
|
| 92 |
+
raise TypeError('Expected sympy/numpy/scipy.sparse matrix, got: %r' % m)
|
| 93 |
+
|
| 94 |
+
|
| 95 |
+
def to_numpy(m, **options):
|
| 96 |
+
"""Convert a sympy/scipy.sparse matrix to a numpy matrix."""
|
| 97 |
+
dtype = options.get('dtype', 'complex')
|
| 98 |
+
if isinstance(m, (MatrixBase, Expr)):
|
| 99 |
+
return sympy_to_numpy(m, dtype=dtype)
|
| 100 |
+
elif isinstance(m, numpy_ndarray):
|
| 101 |
+
return m
|
| 102 |
+
elif isinstance(m, scipy_sparse_matrix):
|
| 103 |
+
return m.todense()
|
| 104 |
+
raise TypeError('Expected sympy/numpy/scipy.sparse matrix, got: %r' % m)
|
| 105 |
+
|
| 106 |
+
|
| 107 |
+
def to_scipy_sparse(m, **options):
|
| 108 |
+
"""Convert a sympy/numpy matrix to a scipy.sparse matrix."""
|
| 109 |
+
dtype = options.get('dtype', 'complex')
|
| 110 |
+
if isinstance(m, (MatrixBase, Expr)):
|
| 111 |
+
return sympy_to_scipy_sparse(m, dtype=dtype)
|
| 112 |
+
elif isinstance(m, numpy_ndarray):
|
| 113 |
+
if not sparse:
|
| 114 |
+
raise ImportError
|
| 115 |
+
return sparse.csr_matrix(m)
|
| 116 |
+
elif isinstance(m, scipy_sparse_matrix):
|
| 117 |
+
return m
|
| 118 |
+
raise TypeError('Expected sympy/numpy/scipy.sparse matrix, got: %r' % m)
|
| 119 |
+
|
| 120 |
+
|
| 121 |
+
def flatten_scalar(e):
|
| 122 |
+
"""Flatten a 1x1 matrix to a scalar, return larger matrices unchanged."""
|
| 123 |
+
if isinstance(e, MatrixBase):
|
| 124 |
+
if e.shape == (1, 1):
|
| 125 |
+
e = e[0]
|
| 126 |
+
if isinstance(e, (numpy_ndarray, scipy_sparse_matrix)):
|
| 127 |
+
if e.shape == (1, 1):
|
| 128 |
+
e = complex(e[0, 0])
|
| 129 |
+
return e
|
| 130 |
+
|
| 131 |
+
|
| 132 |
+
def matrix_dagger(e):
|
| 133 |
+
"""Return the dagger of a sympy/numpy/scipy.sparse matrix."""
|
| 134 |
+
if isinstance(e, MatrixBase):
|
| 135 |
+
return e.H
|
| 136 |
+
elif isinstance(e, (numpy_ndarray, scipy_sparse_matrix)):
|
| 137 |
+
return e.conjugate().transpose()
|
| 138 |
+
raise TypeError('Expected sympy/numpy/scipy.sparse matrix, got: %r' % e)
|
| 139 |
+
|
| 140 |
+
|
| 141 |
+
# TODO: Move this into sympy.matricies.
|
| 142 |
+
def _sympy_tensor_product(*matrices):
|
| 143 |
+
"""Compute the kronecker product of a sequence of SymPy Matrices.
|
| 144 |
+
"""
|
| 145 |
+
from sympy.matrices.expressions.kronecker import matrix_kronecker_product
|
| 146 |
+
|
| 147 |
+
return matrix_kronecker_product(*matrices)
|
| 148 |
+
|
| 149 |
+
|
| 150 |
+
def _numpy_tensor_product(*product):
|
| 151 |
+
"""numpy version of tensor product of multiple arguments."""
|
| 152 |
+
if not np:
|
| 153 |
+
raise ImportError
|
| 154 |
+
answer = product[0]
|
| 155 |
+
for item in product[1:]:
|
| 156 |
+
answer = np.kron(answer, item)
|
| 157 |
+
return answer
|
| 158 |
+
|
| 159 |
+
|
| 160 |
+
def _scipy_sparse_tensor_product(*product):
|
| 161 |
+
"""scipy.sparse version of tensor product of multiple arguments."""
|
| 162 |
+
if not sparse:
|
| 163 |
+
raise ImportError
|
| 164 |
+
answer = product[0]
|
| 165 |
+
for item in product[1:]:
|
| 166 |
+
answer = sparse.kron(answer, item)
|
| 167 |
+
# The final matrices will just be multiplied, so csr is a good final
|
| 168 |
+
# sparse format.
|
| 169 |
+
return sparse.csr_matrix(answer)
|
| 170 |
+
|
| 171 |
+
|
| 172 |
+
def matrix_tensor_product(*product):
|
| 173 |
+
"""Compute the matrix tensor product of sympy/numpy/scipy.sparse matrices."""
|
| 174 |
+
if isinstance(product[0], MatrixBase):
|
| 175 |
+
return _sympy_tensor_product(*product)
|
| 176 |
+
elif isinstance(product[0], numpy_ndarray):
|
| 177 |
+
return _numpy_tensor_product(*product)
|
| 178 |
+
elif isinstance(product[0], scipy_sparse_matrix):
|
| 179 |
+
return _scipy_sparse_tensor_product(*product)
|
| 180 |
+
|
| 181 |
+
|
| 182 |
+
def _numpy_eye(n):
|
| 183 |
+
"""numpy version of complex eye."""
|
| 184 |
+
if not np:
|
| 185 |
+
raise ImportError
|
| 186 |
+
return np.array(np.eye(n, dtype='complex'))
|
| 187 |
+
|
| 188 |
+
|
| 189 |
+
def _scipy_sparse_eye(n):
|
| 190 |
+
"""scipy.sparse version of complex eye."""
|
| 191 |
+
if not sparse:
|
| 192 |
+
raise ImportError
|
| 193 |
+
return sparse.eye(n, n, dtype='complex')
|
| 194 |
+
|
| 195 |
+
|
| 196 |
+
def matrix_eye(n, **options):
|
| 197 |
+
"""Get the version of eye and tensor_product for a given format."""
|
| 198 |
+
format = options.get('format', 'sympy')
|
| 199 |
+
if format == 'sympy':
|
| 200 |
+
return eye(n)
|
| 201 |
+
elif format == 'numpy':
|
| 202 |
+
return _numpy_eye(n)
|
| 203 |
+
elif format == 'scipy.sparse':
|
| 204 |
+
return _scipy_sparse_eye(n)
|
| 205 |
+
raise NotImplementedError('Invalid format: %r' % format)
|
| 206 |
+
|
| 207 |
+
|
| 208 |
+
def _numpy_zeros(m, n, **options):
|
| 209 |
+
"""numpy version of zeros."""
|
| 210 |
+
dtype = options.get('dtype', 'float64')
|
| 211 |
+
if not np:
|
| 212 |
+
raise ImportError
|
| 213 |
+
return np.zeros((m, n), dtype=dtype)
|
| 214 |
+
|
| 215 |
+
|
| 216 |
+
def _scipy_sparse_zeros(m, n, **options):
|
| 217 |
+
"""scipy.sparse version of zeros."""
|
| 218 |
+
spmatrix = options.get('spmatrix', 'csr')
|
| 219 |
+
dtype = options.get('dtype', 'float64')
|
| 220 |
+
if not sparse:
|
| 221 |
+
raise ImportError
|
| 222 |
+
if spmatrix == 'lil':
|
| 223 |
+
return sparse.lil_matrix((m, n), dtype=dtype)
|
| 224 |
+
elif spmatrix == 'csr':
|
| 225 |
+
return sparse.csr_matrix((m, n), dtype=dtype)
|
| 226 |
+
|
| 227 |
+
|
| 228 |
+
def matrix_zeros(m, n, **options):
|
| 229 |
+
""""Get a zeros matrix for a given format."""
|
| 230 |
+
format = options.get('format', 'sympy')
|
| 231 |
+
if format == 'sympy':
|
| 232 |
+
return zeros(m, n)
|
| 233 |
+
elif format == 'numpy':
|
| 234 |
+
return _numpy_zeros(m, n, **options)
|
| 235 |
+
elif format == 'scipy.sparse':
|
| 236 |
+
return _scipy_sparse_zeros(m, n, **options)
|
| 237 |
+
raise NotImplementedError('Invaild format: %r' % format)
|
| 238 |
+
|
| 239 |
+
|
| 240 |
+
def _numpy_matrix_to_zero(e):
|
| 241 |
+
"""Convert a numpy zero matrix to the zero scalar."""
|
| 242 |
+
if not np:
|
| 243 |
+
raise ImportError
|
| 244 |
+
test = np.zeros_like(e)
|
| 245 |
+
if np.allclose(e, test):
|
| 246 |
+
return 0.0
|
| 247 |
+
else:
|
| 248 |
+
return e
|
| 249 |
+
|
| 250 |
+
|
| 251 |
+
def _scipy_sparse_matrix_to_zero(e):
|
| 252 |
+
"""Convert a scipy.sparse zero matrix to the zero scalar."""
|
| 253 |
+
if not np:
|
| 254 |
+
raise ImportError
|
| 255 |
+
edense = e.todense()
|
| 256 |
+
test = np.zeros_like(edense)
|
| 257 |
+
if np.allclose(edense, test):
|
| 258 |
+
return 0.0
|
| 259 |
+
else:
|
| 260 |
+
return e
|
| 261 |
+
|
| 262 |
+
|
| 263 |
+
def matrix_to_zero(e):
|
| 264 |
+
"""Convert a zero matrix to the scalar zero."""
|
| 265 |
+
if isinstance(e, MatrixBase):
|
| 266 |
+
if zeros(*e.shape) == e:
|
| 267 |
+
e = S.Zero
|
| 268 |
+
elif isinstance(e, numpy_ndarray):
|
| 269 |
+
e = _numpy_matrix_to_zero(e)
|
| 270 |
+
elif isinstance(e, scipy_sparse_matrix):
|
| 271 |
+
e = _scipy_sparse_matrix_to_zero(e)
|
| 272 |
+
return e
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/operator.py
ADDED
|
@@ -0,0 +1,657 @@
|
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|
|
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|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Quantum mechanical operators.
|
| 2 |
+
|
| 3 |
+
TODO:
|
| 4 |
+
|
| 5 |
+
* Fix early 0 in apply_operators.
|
| 6 |
+
* Debug and test apply_operators.
|
| 7 |
+
* Get cse working with classes in this file.
|
| 8 |
+
* Doctests and documentation of special methods for InnerProduct, Commutator,
|
| 9 |
+
AntiCommutator, represent, apply_operators.
|
| 10 |
+
"""
|
| 11 |
+
from typing import Optional
|
| 12 |
+
|
| 13 |
+
from sympy.core.add import Add
|
| 14 |
+
from sympy.core.expr import Expr
|
| 15 |
+
from sympy.core.function import (Derivative, expand)
|
| 16 |
+
from sympy.core.mul import Mul
|
| 17 |
+
from sympy.core.numbers import oo
|
| 18 |
+
from sympy.core.singleton import S
|
| 19 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 20 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 21 |
+
from sympy.physics.quantum.qexpr import QExpr, dispatch_method
|
| 22 |
+
from sympy.matrices import eye
|
| 23 |
+
|
| 24 |
+
__all__ = [
|
| 25 |
+
'Operator',
|
| 26 |
+
'HermitianOperator',
|
| 27 |
+
'UnitaryOperator',
|
| 28 |
+
'IdentityOperator',
|
| 29 |
+
'OuterProduct',
|
| 30 |
+
'DifferentialOperator'
|
| 31 |
+
]
|
| 32 |
+
|
| 33 |
+
#-----------------------------------------------------------------------------
|
| 34 |
+
# Operators and outer products
|
| 35 |
+
#-----------------------------------------------------------------------------
|
| 36 |
+
|
| 37 |
+
|
| 38 |
+
class Operator(QExpr):
|
| 39 |
+
"""Base class for non-commuting quantum operators.
|
| 40 |
+
|
| 41 |
+
An operator maps between quantum states [1]_. In quantum mechanics,
|
| 42 |
+
observables (including, but not limited to, measured physical values) are
|
| 43 |
+
represented as Hermitian operators [2]_.
|
| 44 |
+
|
| 45 |
+
Parameters
|
| 46 |
+
==========
|
| 47 |
+
|
| 48 |
+
args : tuple
|
| 49 |
+
The list of numbers or parameters that uniquely specify the
|
| 50 |
+
operator. For time-dependent operators, this will include the time.
|
| 51 |
+
|
| 52 |
+
Examples
|
| 53 |
+
========
|
| 54 |
+
|
| 55 |
+
Create an operator and examine its attributes::
|
| 56 |
+
|
| 57 |
+
>>> from sympy.physics.quantum import Operator
|
| 58 |
+
>>> from sympy import I
|
| 59 |
+
>>> A = Operator('A')
|
| 60 |
+
>>> A
|
| 61 |
+
A
|
| 62 |
+
>>> A.hilbert_space
|
| 63 |
+
H
|
| 64 |
+
>>> A.label
|
| 65 |
+
(A,)
|
| 66 |
+
>>> A.is_commutative
|
| 67 |
+
False
|
| 68 |
+
|
| 69 |
+
Create another operator and do some arithmetic operations::
|
| 70 |
+
|
| 71 |
+
>>> B = Operator('B')
|
| 72 |
+
>>> C = 2*A*A + I*B
|
| 73 |
+
>>> C
|
| 74 |
+
2*A**2 + I*B
|
| 75 |
+
|
| 76 |
+
Operators do not commute::
|
| 77 |
+
|
| 78 |
+
>>> A.is_commutative
|
| 79 |
+
False
|
| 80 |
+
>>> B.is_commutative
|
| 81 |
+
False
|
| 82 |
+
>>> A*B == B*A
|
| 83 |
+
False
|
| 84 |
+
|
| 85 |
+
Polymonials of operators respect the commutation properties::
|
| 86 |
+
|
| 87 |
+
>>> e = (A+B)**3
|
| 88 |
+
>>> e.expand()
|
| 89 |
+
A*B*A + A*B**2 + A**2*B + A**3 + B*A*B + B*A**2 + B**2*A + B**3
|
| 90 |
+
|
| 91 |
+
Operator inverses are handle symbolically::
|
| 92 |
+
|
| 93 |
+
>>> A.inv()
|
| 94 |
+
A**(-1)
|
| 95 |
+
>>> A*A.inv()
|
| 96 |
+
1
|
| 97 |
+
|
| 98 |
+
References
|
| 99 |
+
==========
|
| 100 |
+
|
| 101 |
+
.. [1] https://en.wikipedia.org/wiki/Operator_%28physics%29
|
| 102 |
+
.. [2] https://en.wikipedia.org/wiki/Observable
|
| 103 |
+
"""
|
| 104 |
+
is_hermitian: Optional[bool] = None
|
| 105 |
+
is_unitary: Optional[bool] = None
|
| 106 |
+
@classmethod
|
| 107 |
+
def default_args(self):
|
| 108 |
+
return ("O",)
|
| 109 |
+
|
| 110 |
+
#-------------------------------------------------------------------------
|
| 111 |
+
# Printing
|
| 112 |
+
#-------------------------------------------------------------------------
|
| 113 |
+
|
| 114 |
+
_label_separator = ','
|
| 115 |
+
|
| 116 |
+
def _print_operator_name(self, printer, *args):
|
| 117 |
+
return self.__class__.__name__
|
| 118 |
+
|
| 119 |
+
_print_operator_name_latex = _print_operator_name
|
| 120 |
+
|
| 121 |
+
def _print_operator_name_pretty(self, printer, *args):
|
| 122 |
+
return prettyForm(self.__class__.__name__)
|
| 123 |
+
|
| 124 |
+
def _print_contents(self, printer, *args):
|
| 125 |
+
if len(self.label) == 1:
|
| 126 |
+
return self._print_label(printer, *args)
|
| 127 |
+
else:
|
| 128 |
+
return '%s(%s)' % (
|
| 129 |
+
self._print_operator_name(printer, *args),
|
| 130 |
+
self._print_label(printer, *args)
|
| 131 |
+
)
|
| 132 |
+
|
| 133 |
+
def _print_contents_pretty(self, printer, *args):
|
| 134 |
+
if len(self.label) == 1:
|
| 135 |
+
return self._print_label_pretty(printer, *args)
|
| 136 |
+
else:
|
| 137 |
+
pform = self._print_operator_name_pretty(printer, *args)
|
| 138 |
+
label_pform = self._print_label_pretty(printer, *args)
|
| 139 |
+
label_pform = prettyForm(
|
| 140 |
+
*label_pform.parens(left='(', right=')')
|
| 141 |
+
)
|
| 142 |
+
pform = prettyForm(*pform.right(label_pform))
|
| 143 |
+
return pform
|
| 144 |
+
|
| 145 |
+
def _print_contents_latex(self, printer, *args):
|
| 146 |
+
if len(self.label) == 1:
|
| 147 |
+
return self._print_label_latex(printer, *args)
|
| 148 |
+
else:
|
| 149 |
+
return r'%s\left(%s\right)' % (
|
| 150 |
+
self._print_operator_name_latex(printer, *args),
|
| 151 |
+
self._print_label_latex(printer, *args)
|
| 152 |
+
)
|
| 153 |
+
|
| 154 |
+
#-------------------------------------------------------------------------
|
| 155 |
+
# _eval_* methods
|
| 156 |
+
#-------------------------------------------------------------------------
|
| 157 |
+
|
| 158 |
+
def _eval_commutator(self, other, **options):
|
| 159 |
+
"""Evaluate [self, other] if known, return None if not known."""
|
| 160 |
+
return dispatch_method(self, '_eval_commutator', other, **options)
|
| 161 |
+
|
| 162 |
+
def _eval_anticommutator(self, other, **options):
|
| 163 |
+
"""Evaluate [self, other] if known."""
|
| 164 |
+
return dispatch_method(self, '_eval_anticommutator', other, **options)
|
| 165 |
+
|
| 166 |
+
#-------------------------------------------------------------------------
|
| 167 |
+
# Operator application
|
| 168 |
+
#-------------------------------------------------------------------------
|
| 169 |
+
|
| 170 |
+
def _apply_operator(self, ket, **options):
|
| 171 |
+
return dispatch_method(self, '_apply_operator', ket, **options)
|
| 172 |
+
|
| 173 |
+
def _apply_from_right_to(self, bra, **options):
|
| 174 |
+
return None
|
| 175 |
+
|
| 176 |
+
def matrix_element(self, *args):
|
| 177 |
+
raise NotImplementedError('matrix_elements is not defined')
|
| 178 |
+
|
| 179 |
+
def inverse(self):
|
| 180 |
+
return self._eval_inverse()
|
| 181 |
+
|
| 182 |
+
inv = inverse
|
| 183 |
+
|
| 184 |
+
def _eval_inverse(self):
|
| 185 |
+
return self**(-1)
|
| 186 |
+
|
| 187 |
+
def __mul__(self, other):
|
| 188 |
+
|
| 189 |
+
if isinstance(other, IdentityOperator):
|
| 190 |
+
return self
|
| 191 |
+
|
| 192 |
+
return Mul(self, other)
|
| 193 |
+
|
| 194 |
+
|
| 195 |
+
class HermitianOperator(Operator):
|
| 196 |
+
"""A Hermitian operator that satisfies H == Dagger(H).
|
| 197 |
+
|
| 198 |
+
Parameters
|
| 199 |
+
==========
|
| 200 |
+
|
| 201 |
+
args : tuple
|
| 202 |
+
The list of numbers or parameters that uniquely specify the
|
| 203 |
+
operator. For time-dependent operators, this will include the time.
|
| 204 |
+
|
| 205 |
+
Examples
|
| 206 |
+
========
|
| 207 |
+
|
| 208 |
+
>>> from sympy.physics.quantum import Dagger, HermitianOperator
|
| 209 |
+
>>> H = HermitianOperator('H')
|
| 210 |
+
>>> Dagger(H)
|
| 211 |
+
H
|
| 212 |
+
"""
|
| 213 |
+
|
| 214 |
+
is_hermitian = True
|
| 215 |
+
|
| 216 |
+
def _eval_inverse(self):
|
| 217 |
+
if isinstance(self, UnitaryOperator):
|
| 218 |
+
return self
|
| 219 |
+
else:
|
| 220 |
+
return Operator._eval_inverse(self)
|
| 221 |
+
|
| 222 |
+
def _eval_power(self, exp):
|
| 223 |
+
if isinstance(self, UnitaryOperator):
|
| 224 |
+
# so all eigenvalues of self are 1 or -1
|
| 225 |
+
if exp.is_even:
|
| 226 |
+
from sympy.core.singleton import S
|
| 227 |
+
return S.One # is identity, see Issue 24153.
|
| 228 |
+
elif exp.is_odd:
|
| 229 |
+
return self
|
| 230 |
+
# No simplification in all other cases
|
| 231 |
+
return Operator._eval_power(self, exp)
|
| 232 |
+
|
| 233 |
+
|
| 234 |
+
class UnitaryOperator(Operator):
|
| 235 |
+
"""A unitary operator that satisfies U*Dagger(U) == 1.
|
| 236 |
+
|
| 237 |
+
Parameters
|
| 238 |
+
==========
|
| 239 |
+
|
| 240 |
+
args : tuple
|
| 241 |
+
The list of numbers or parameters that uniquely specify the
|
| 242 |
+
operator. For time-dependent operators, this will include the time.
|
| 243 |
+
|
| 244 |
+
Examples
|
| 245 |
+
========
|
| 246 |
+
|
| 247 |
+
>>> from sympy.physics.quantum import Dagger, UnitaryOperator
|
| 248 |
+
>>> U = UnitaryOperator('U')
|
| 249 |
+
>>> U*Dagger(U)
|
| 250 |
+
1
|
| 251 |
+
"""
|
| 252 |
+
is_unitary = True
|
| 253 |
+
def _eval_adjoint(self):
|
| 254 |
+
return self._eval_inverse()
|
| 255 |
+
|
| 256 |
+
|
| 257 |
+
class IdentityOperator(Operator):
|
| 258 |
+
"""An identity operator I that satisfies op * I == I * op == op for any
|
| 259 |
+
operator op.
|
| 260 |
+
|
| 261 |
+
Parameters
|
| 262 |
+
==========
|
| 263 |
+
|
| 264 |
+
N : Integer
|
| 265 |
+
Optional parameter that specifies the dimension of the Hilbert space
|
| 266 |
+
of operator. This is used when generating a matrix representation.
|
| 267 |
+
|
| 268 |
+
Examples
|
| 269 |
+
========
|
| 270 |
+
|
| 271 |
+
>>> from sympy.physics.quantum import IdentityOperator
|
| 272 |
+
>>> IdentityOperator()
|
| 273 |
+
I
|
| 274 |
+
"""
|
| 275 |
+
is_hermitian = True
|
| 276 |
+
is_unitary = True
|
| 277 |
+
@property
|
| 278 |
+
def dimension(self):
|
| 279 |
+
return self.N
|
| 280 |
+
|
| 281 |
+
@classmethod
|
| 282 |
+
def default_args(self):
|
| 283 |
+
return (oo,)
|
| 284 |
+
|
| 285 |
+
def __init__(self, *args, **hints):
|
| 286 |
+
if not len(args) in (0, 1):
|
| 287 |
+
raise ValueError('0 or 1 parameters expected, got %s' % args)
|
| 288 |
+
|
| 289 |
+
self.N = args[0] if (len(args) == 1 and args[0]) else oo
|
| 290 |
+
|
| 291 |
+
def _eval_commutator(self, other, **hints):
|
| 292 |
+
return S.Zero
|
| 293 |
+
|
| 294 |
+
def _eval_anticommutator(self, other, **hints):
|
| 295 |
+
return 2 * other
|
| 296 |
+
|
| 297 |
+
def _eval_inverse(self):
|
| 298 |
+
return self
|
| 299 |
+
|
| 300 |
+
def _eval_adjoint(self):
|
| 301 |
+
return self
|
| 302 |
+
|
| 303 |
+
def _apply_operator(self, ket, **options):
|
| 304 |
+
return ket
|
| 305 |
+
|
| 306 |
+
def _apply_from_right_to(self, bra, **options):
|
| 307 |
+
return bra
|
| 308 |
+
|
| 309 |
+
def _eval_power(self, exp):
|
| 310 |
+
return self
|
| 311 |
+
|
| 312 |
+
def _print_contents(self, printer, *args):
|
| 313 |
+
return 'I'
|
| 314 |
+
|
| 315 |
+
def _print_contents_pretty(self, printer, *args):
|
| 316 |
+
return prettyForm('I')
|
| 317 |
+
|
| 318 |
+
def _print_contents_latex(self, printer, *args):
|
| 319 |
+
return r'{\mathcal{I}}'
|
| 320 |
+
|
| 321 |
+
def __mul__(self, other):
|
| 322 |
+
|
| 323 |
+
if isinstance(other, (Operator, Dagger)):
|
| 324 |
+
return other
|
| 325 |
+
|
| 326 |
+
return Mul(self, other)
|
| 327 |
+
|
| 328 |
+
def _represent_default_basis(self, **options):
|
| 329 |
+
if not self.N or self.N == oo:
|
| 330 |
+
raise NotImplementedError('Cannot represent infinite dimensional' +
|
| 331 |
+
' identity operator as a matrix')
|
| 332 |
+
|
| 333 |
+
format = options.get('format', 'sympy')
|
| 334 |
+
if format != 'sympy':
|
| 335 |
+
raise NotImplementedError('Representation in format ' +
|
| 336 |
+
'%s not implemented.' % format)
|
| 337 |
+
|
| 338 |
+
return eye(self.N)
|
| 339 |
+
|
| 340 |
+
|
| 341 |
+
class OuterProduct(Operator):
|
| 342 |
+
"""An unevaluated outer product between a ket and bra.
|
| 343 |
+
|
| 344 |
+
This constructs an outer product between any subclass of ``KetBase`` and
|
| 345 |
+
``BraBase`` as ``|a><b|``. An ``OuterProduct`` inherits from Operator as they act as
|
| 346 |
+
operators in quantum expressions. For reference see [1]_.
|
| 347 |
+
|
| 348 |
+
Parameters
|
| 349 |
+
==========
|
| 350 |
+
|
| 351 |
+
ket : KetBase
|
| 352 |
+
The ket on the left side of the outer product.
|
| 353 |
+
bar : BraBase
|
| 354 |
+
The bra on the right side of the outer product.
|
| 355 |
+
|
| 356 |
+
Examples
|
| 357 |
+
========
|
| 358 |
+
|
| 359 |
+
Create a simple outer product by hand and take its dagger::
|
| 360 |
+
|
| 361 |
+
>>> from sympy.physics.quantum import Ket, Bra, OuterProduct, Dagger
|
| 362 |
+
>>> from sympy.physics.quantum import Operator
|
| 363 |
+
|
| 364 |
+
>>> k = Ket('k')
|
| 365 |
+
>>> b = Bra('b')
|
| 366 |
+
>>> op = OuterProduct(k, b)
|
| 367 |
+
>>> op
|
| 368 |
+
|k><b|
|
| 369 |
+
>>> op.hilbert_space
|
| 370 |
+
H
|
| 371 |
+
>>> op.ket
|
| 372 |
+
|k>
|
| 373 |
+
>>> op.bra
|
| 374 |
+
<b|
|
| 375 |
+
>>> Dagger(op)
|
| 376 |
+
|b><k|
|
| 377 |
+
|
| 378 |
+
In simple products of kets and bras outer products will be automatically
|
| 379 |
+
identified and created::
|
| 380 |
+
|
| 381 |
+
>>> k*b
|
| 382 |
+
|k><b|
|
| 383 |
+
|
| 384 |
+
But in more complex expressions, outer products are not automatically
|
| 385 |
+
created::
|
| 386 |
+
|
| 387 |
+
>>> A = Operator('A')
|
| 388 |
+
>>> A*k*b
|
| 389 |
+
A*|k>*<b|
|
| 390 |
+
|
| 391 |
+
A user can force the creation of an outer product in a complex expression
|
| 392 |
+
by using parentheses to group the ket and bra::
|
| 393 |
+
|
| 394 |
+
>>> A*(k*b)
|
| 395 |
+
A*|k><b|
|
| 396 |
+
|
| 397 |
+
References
|
| 398 |
+
==========
|
| 399 |
+
|
| 400 |
+
.. [1] https://en.wikipedia.org/wiki/Outer_product
|
| 401 |
+
"""
|
| 402 |
+
is_commutative = False
|
| 403 |
+
|
| 404 |
+
def __new__(cls, *args, **old_assumptions):
|
| 405 |
+
from sympy.physics.quantum.state import KetBase, BraBase
|
| 406 |
+
|
| 407 |
+
if len(args) != 2:
|
| 408 |
+
raise ValueError('2 parameters expected, got %d' % len(args))
|
| 409 |
+
|
| 410 |
+
ket_expr = expand(args[0])
|
| 411 |
+
bra_expr = expand(args[1])
|
| 412 |
+
|
| 413 |
+
if (isinstance(ket_expr, (KetBase, Mul)) and
|
| 414 |
+
isinstance(bra_expr, (BraBase, Mul))):
|
| 415 |
+
ket_c, kets = ket_expr.args_cnc()
|
| 416 |
+
bra_c, bras = bra_expr.args_cnc()
|
| 417 |
+
|
| 418 |
+
if len(kets) != 1 or not isinstance(kets[0], KetBase):
|
| 419 |
+
raise TypeError('KetBase subclass expected'
|
| 420 |
+
', got: %r' % Mul(*kets))
|
| 421 |
+
|
| 422 |
+
if len(bras) != 1 or not isinstance(bras[0], BraBase):
|
| 423 |
+
raise TypeError('BraBase subclass expected'
|
| 424 |
+
', got: %r' % Mul(*bras))
|
| 425 |
+
|
| 426 |
+
if not kets[0].dual_class() == bras[0].__class__:
|
| 427 |
+
raise TypeError(
|
| 428 |
+
'ket and bra are not dual classes: %r, %r' %
|
| 429 |
+
(kets[0].__class__, bras[0].__class__)
|
| 430 |
+
)
|
| 431 |
+
|
| 432 |
+
# TODO: make sure the hilbert spaces of the bra and ket are
|
| 433 |
+
# compatible
|
| 434 |
+
obj = Expr.__new__(cls, *(kets[0], bras[0]), **old_assumptions)
|
| 435 |
+
obj.hilbert_space = kets[0].hilbert_space
|
| 436 |
+
return Mul(*(ket_c + bra_c)) * obj
|
| 437 |
+
|
| 438 |
+
op_terms = []
|
| 439 |
+
if isinstance(ket_expr, Add) and isinstance(bra_expr, Add):
|
| 440 |
+
for ket_term in ket_expr.args:
|
| 441 |
+
for bra_term in bra_expr.args:
|
| 442 |
+
op_terms.append(OuterProduct(ket_term, bra_term,
|
| 443 |
+
**old_assumptions))
|
| 444 |
+
elif isinstance(ket_expr, Add):
|
| 445 |
+
for ket_term in ket_expr.args:
|
| 446 |
+
op_terms.append(OuterProduct(ket_term, bra_expr,
|
| 447 |
+
**old_assumptions))
|
| 448 |
+
elif isinstance(bra_expr, Add):
|
| 449 |
+
for bra_term in bra_expr.args:
|
| 450 |
+
op_terms.append(OuterProduct(ket_expr, bra_term,
|
| 451 |
+
**old_assumptions))
|
| 452 |
+
else:
|
| 453 |
+
raise TypeError(
|
| 454 |
+
'Expected ket and bra expression, got: %r, %r' %
|
| 455 |
+
(ket_expr, bra_expr)
|
| 456 |
+
)
|
| 457 |
+
|
| 458 |
+
return Add(*op_terms)
|
| 459 |
+
|
| 460 |
+
@property
|
| 461 |
+
def ket(self):
|
| 462 |
+
"""Return the ket on the left side of the outer product."""
|
| 463 |
+
return self.args[0]
|
| 464 |
+
|
| 465 |
+
@property
|
| 466 |
+
def bra(self):
|
| 467 |
+
"""Return the bra on the right side of the outer product."""
|
| 468 |
+
return self.args[1]
|
| 469 |
+
|
| 470 |
+
def _eval_adjoint(self):
|
| 471 |
+
return OuterProduct(Dagger(self.bra), Dagger(self.ket))
|
| 472 |
+
|
| 473 |
+
def _sympystr(self, printer, *args):
|
| 474 |
+
return printer._print(self.ket) + printer._print(self.bra)
|
| 475 |
+
|
| 476 |
+
def _sympyrepr(self, printer, *args):
|
| 477 |
+
return '%s(%s,%s)' % (self.__class__.__name__,
|
| 478 |
+
printer._print(self.ket, *args), printer._print(self.bra, *args))
|
| 479 |
+
|
| 480 |
+
def _pretty(self, printer, *args):
|
| 481 |
+
pform = self.ket._pretty(printer, *args)
|
| 482 |
+
return prettyForm(*pform.right(self.bra._pretty(printer, *args)))
|
| 483 |
+
|
| 484 |
+
def _latex(self, printer, *args):
|
| 485 |
+
k = printer._print(self.ket, *args)
|
| 486 |
+
b = printer._print(self.bra, *args)
|
| 487 |
+
return k + b
|
| 488 |
+
|
| 489 |
+
def _represent(self, **options):
|
| 490 |
+
k = self.ket._represent(**options)
|
| 491 |
+
b = self.bra._represent(**options)
|
| 492 |
+
return k*b
|
| 493 |
+
|
| 494 |
+
def _eval_trace(self, **kwargs):
|
| 495 |
+
# TODO if operands are tensorproducts this may be will be handled
|
| 496 |
+
# differently.
|
| 497 |
+
|
| 498 |
+
return self.ket._eval_trace(self.bra, **kwargs)
|
| 499 |
+
|
| 500 |
+
|
| 501 |
+
class DifferentialOperator(Operator):
|
| 502 |
+
"""An operator for representing the differential operator, i.e. d/dx
|
| 503 |
+
|
| 504 |
+
It is initialized by passing two arguments. The first is an arbitrary
|
| 505 |
+
expression that involves a function, such as ``Derivative(f(x), x)``. The
|
| 506 |
+
second is the function (e.g. ``f(x)``) which we are to replace with the
|
| 507 |
+
``Wavefunction`` that this ``DifferentialOperator`` is applied to.
|
| 508 |
+
|
| 509 |
+
Parameters
|
| 510 |
+
==========
|
| 511 |
+
|
| 512 |
+
expr : Expr
|
| 513 |
+
The arbitrary expression which the appropriate Wavefunction is to be
|
| 514 |
+
substituted into
|
| 515 |
+
|
| 516 |
+
func : Expr
|
| 517 |
+
A function (e.g. f(x)) which is to be replaced with the appropriate
|
| 518 |
+
Wavefunction when this DifferentialOperator is applied
|
| 519 |
+
|
| 520 |
+
Examples
|
| 521 |
+
========
|
| 522 |
+
|
| 523 |
+
You can define a completely arbitrary expression and specify where the
|
| 524 |
+
Wavefunction is to be substituted
|
| 525 |
+
|
| 526 |
+
>>> from sympy import Derivative, Function, Symbol
|
| 527 |
+
>>> from sympy.physics.quantum.operator import DifferentialOperator
|
| 528 |
+
>>> from sympy.physics.quantum.state import Wavefunction
|
| 529 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 530 |
+
>>> f = Function('f')
|
| 531 |
+
>>> x = Symbol('x')
|
| 532 |
+
>>> d = DifferentialOperator(1/x*Derivative(f(x), x), f(x))
|
| 533 |
+
>>> w = Wavefunction(x**2, x)
|
| 534 |
+
>>> d.function
|
| 535 |
+
f(x)
|
| 536 |
+
>>> d.variables
|
| 537 |
+
(x,)
|
| 538 |
+
>>> qapply(d*w)
|
| 539 |
+
Wavefunction(2, x)
|
| 540 |
+
|
| 541 |
+
"""
|
| 542 |
+
|
| 543 |
+
@property
|
| 544 |
+
def variables(self):
|
| 545 |
+
"""
|
| 546 |
+
Returns the variables with which the function in the specified
|
| 547 |
+
arbitrary expression is evaluated
|
| 548 |
+
|
| 549 |
+
Examples
|
| 550 |
+
========
|
| 551 |
+
|
| 552 |
+
>>> from sympy.physics.quantum.operator import DifferentialOperator
|
| 553 |
+
>>> from sympy import Symbol, Function, Derivative
|
| 554 |
+
>>> x = Symbol('x')
|
| 555 |
+
>>> f = Function('f')
|
| 556 |
+
>>> d = DifferentialOperator(1/x*Derivative(f(x), x), f(x))
|
| 557 |
+
>>> d.variables
|
| 558 |
+
(x,)
|
| 559 |
+
>>> y = Symbol('y')
|
| 560 |
+
>>> d = DifferentialOperator(Derivative(f(x, y), x) +
|
| 561 |
+
... Derivative(f(x, y), y), f(x, y))
|
| 562 |
+
>>> d.variables
|
| 563 |
+
(x, y)
|
| 564 |
+
"""
|
| 565 |
+
|
| 566 |
+
return self.args[-1].args
|
| 567 |
+
|
| 568 |
+
@property
|
| 569 |
+
def function(self):
|
| 570 |
+
"""
|
| 571 |
+
Returns the function which is to be replaced with the Wavefunction
|
| 572 |
+
|
| 573 |
+
Examples
|
| 574 |
+
========
|
| 575 |
+
|
| 576 |
+
>>> from sympy.physics.quantum.operator import DifferentialOperator
|
| 577 |
+
>>> from sympy import Function, Symbol, Derivative
|
| 578 |
+
>>> x = Symbol('x')
|
| 579 |
+
>>> f = Function('f')
|
| 580 |
+
>>> d = DifferentialOperator(Derivative(f(x), x), f(x))
|
| 581 |
+
>>> d.function
|
| 582 |
+
f(x)
|
| 583 |
+
>>> y = Symbol('y')
|
| 584 |
+
>>> d = DifferentialOperator(Derivative(f(x, y), x) +
|
| 585 |
+
... Derivative(f(x, y), y), f(x, y))
|
| 586 |
+
>>> d.function
|
| 587 |
+
f(x, y)
|
| 588 |
+
"""
|
| 589 |
+
|
| 590 |
+
return self.args[-1]
|
| 591 |
+
|
| 592 |
+
@property
|
| 593 |
+
def expr(self):
|
| 594 |
+
"""
|
| 595 |
+
Returns the arbitrary expression which is to have the Wavefunction
|
| 596 |
+
substituted into it
|
| 597 |
+
|
| 598 |
+
Examples
|
| 599 |
+
========
|
| 600 |
+
|
| 601 |
+
>>> from sympy.physics.quantum.operator import DifferentialOperator
|
| 602 |
+
>>> from sympy import Function, Symbol, Derivative
|
| 603 |
+
>>> x = Symbol('x')
|
| 604 |
+
>>> f = Function('f')
|
| 605 |
+
>>> d = DifferentialOperator(Derivative(f(x), x), f(x))
|
| 606 |
+
>>> d.expr
|
| 607 |
+
Derivative(f(x), x)
|
| 608 |
+
>>> y = Symbol('y')
|
| 609 |
+
>>> d = DifferentialOperator(Derivative(f(x, y), x) +
|
| 610 |
+
... Derivative(f(x, y), y), f(x, y))
|
| 611 |
+
>>> d.expr
|
| 612 |
+
Derivative(f(x, y), x) + Derivative(f(x, y), y)
|
| 613 |
+
"""
|
| 614 |
+
|
| 615 |
+
return self.args[0]
|
| 616 |
+
|
| 617 |
+
@property
|
| 618 |
+
def free_symbols(self):
|
| 619 |
+
"""
|
| 620 |
+
Return the free symbols of the expression.
|
| 621 |
+
"""
|
| 622 |
+
|
| 623 |
+
return self.expr.free_symbols
|
| 624 |
+
|
| 625 |
+
def _apply_operator_Wavefunction(self, func, **options):
|
| 626 |
+
from sympy.physics.quantum.state import Wavefunction
|
| 627 |
+
var = self.variables
|
| 628 |
+
wf_vars = func.args[1:]
|
| 629 |
+
|
| 630 |
+
f = self.function
|
| 631 |
+
new_expr = self.expr.subs(f, func(*var))
|
| 632 |
+
new_expr = new_expr.doit()
|
| 633 |
+
|
| 634 |
+
return Wavefunction(new_expr, *wf_vars)
|
| 635 |
+
|
| 636 |
+
def _eval_derivative(self, symbol):
|
| 637 |
+
new_expr = Derivative(self.expr, symbol)
|
| 638 |
+
return DifferentialOperator(new_expr, self.args[-1])
|
| 639 |
+
|
| 640 |
+
#-------------------------------------------------------------------------
|
| 641 |
+
# Printing
|
| 642 |
+
#-------------------------------------------------------------------------
|
| 643 |
+
|
| 644 |
+
def _print(self, printer, *args):
|
| 645 |
+
return '%s(%s)' % (
|
| 646 |
+
self._print_operator_name(printer, *args),
|
| 647 |
+
self._print_label(printer, *args)
|
| 648 |
+
)
|
| 649 |
+
|
| 650 |
+
def _print_pretty(self, printer, *args):
|
| 651 |
+
pform = self._print_operator_name_pretty(printer, *args)
|
| 652 |
+
label_pform = self._print_label_pretty(printer, *args)
|
| 653 |
+
label_pform = prettyForm(
|
| 654 |
+
*label_pform.parens(left='(', right=')')
|
| 655 |
+
)
|
| 656 |
+
pform = prettyForm(*pform.right(label_pform))
|
| 657 |
+
return pform
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/operatorordering.py
ADDED
|
@@ -0,0 +1,290 @@
|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Functions for reordering operator expressions."""
|
| 2 |
+
|
| 3 |
+
import warnings
|
| 4 |
+
|
| 5 |
+
from sympy.core.add import Add
|
| 6 |
+
from sympy.core.mul import Mul
|
| 7 |
+
from sympy.core.numbers import Integer
|
| 8 |
+
from sympy.core.power import Pow
|
| 9 |
+
from sympy.physics.quantum import Commutator, AntiCommutator
|
| 10 |
+
from sympy.physics.quantum.boson import BosonOp
|
| 11 |
+
from sympy.physics.quantum.fermion import FermionOp
|
| 12 |
+
|
| 13 |
+
__all__ = [
|
| 14 |
+
'normal_order',
|
| 15 |
+
'normal_ordered_form'
|
| 16 |
+
]
|
| 17 |
+
|
| 18 |
+
|
| 19 |
+
def _expand_powers(factors):
|
| 20 |
+
"""
|
| 21 |
+
Helper function for normal_ordered_form and normal_order: Expand a
|
| 22 |
+
power expression to a multiplication expression so that that the
|
| 23 |
+
expression can be handled by the normal ordering functions.
|
| 24 |
+
"""
|
| 25 |
+
|
| 26 |
+
new_factors = []
|
| 27 |
+
for factor in factors.args:
|
| 28 |
+
if (isinstance(factor, Pow)
|
| 29 |
+
and isinstance(factor.args[1], Integer)
|
| 30 |
+
and factor.args[1] > 0):
|
| 31 |
+
for n in range(factor.args[1]):
|
| 32 |
+
new_factors.append(factor.args[0])
|
| 33 |
+
else:
|
| 34 |
+
new_factors.append(factor)
|
| 35 |
+
|
| 36 |
+
return new_factors
|
| 37 |
+
|
| 38 |
+
def _normal_ordered_form_factor(product, independent=False, recursive_limit=10,
|
| 39 |
+
_recursive_depth=0):
|
| 40 |
+
"""
|
| 41 |
+
Helper function for normal_ordered_form_factor: Write multiplication
|
| 42 |
+
expression with bosonic or fermionic operators on normally ordered form,
|
| 43 |
+
using the bosonic and fermionic commutation relations. The resulting
|
| 44 |
+
operator expression is equivalent to the argument, but will in general be
|
| 45 |
+
a sum of operator products instead of a simple product.
|
| 46 |
+
"""
|
| 47 |
+
|
| 48 |
+
factors = _expand_powers(product)
|
| 49 |
+
|
| 50 |
+
new_factors = []
|
| 51 |
+
n = 0
|
| 52 |
+
while n < len(factors) - 1:
|
| 53 |
+
current, next = factors[n], factors[n + 1]
|
| 54 |
+
if any(not isinstance(f, (FermionOp, BosonOp)) for f in (current, next)):
|
| 55 |
+
new_factors.append(current)
|
| 56 |
+
n += 1
|
| 57 |
+
continue
|
| 58 |
+
|
| 59 |
+
key_1 = (current.is_annihilation, str(current.name))
|
| 60 |
+
key_2 = (next.is_annihilation, str(next.name))
|
| 61 |
+
|
| 62 |
+
if key_1 <= key_2:
|
| 63 |
+
new_factors.append(current)
|
| 64 |
+
n += 1
|
| 65 |
+
continue
|
| 66 |
+
|
| 67 |
+
n += 2
|
| 68 |
+
if current.is_annihilation and not next.is_annihilation:
|
| 69 |
+
if isinstance(current, BosonOp) and isinstance(next, BosonOp):
|
| 70 |
+
if current.args[0] != next.args[0]:
|
| 71 |
+
if independent:
|
| 72 |
+
c = 0
|
| 73 |
+
else:
|
| 74 |
+
c = Commutator(current, next)
|
| 75 |
+
new_factors.append(next * current + c)
|
| 76 |
+
else:
|
| 77 |
+
new_factors.append(next * current + 1)
|
| 78 |
+
elif isinstance(current, FermionOp) and isinstance(next, FermionOp):
|
| 79 |
+
if current.args[0] != next.args[0]:
|
| 80 |
+
if independent:
|
| 81 |
+
c = 0
|
| 82 |
+
else:
|
| 83 |
+
c = AntiCommutator(current, next)
|
| 84 |
+
new_factors.append(-next * current + c)
|
| 85 |
+
else:
|
| 86 |
+
new_factors.append(-next * current + 1)
|
| 87 |
+
elif (current.is_annihilation == next.is_annihilation and
|
| 88 |
+
isinstance(current, FermionOp) and isinstance(next, FermionOp)):
|
| 89 |
+
new_factors.append(-next * current)
|
| 90 |
+
else:
|
| 91 |
+
new_factors.append(next * current)
|
| 92 |
+
|
| 93 |
+
if n == len(factors) - 1:
|
| 94 |
+
new_factors.append(factors[-1])
|
| 95 |
+
|
| 96 |
+
if new_factors == factors:
|
| 97 |
+
return product
|
| 98 |
+
else:
|
| 99 |
+
expr = Mul(*new_factors).expand()
|
| 100 |
+
return normal_ordered_form(expr,
|
| 101 |
+
recursive_limit=recursive_limit,
|
| 102 |
+
_recursive_depth=_recursive_depth + 1,
|
| 103 |
+
independent=independent)
|
| 104 |
+
|
| 105 |
+
|
| 106 |
+
def _normal_ordered_form_terms(expr, independent=False, recursive_limit=10,
|
| 107 |
+
_recursive_depth=0):
|
| 108 |
+
"""
|
| 109 |
+
Helper function for normal_ordered_form: loop through each term in an
|
| 110 |
+
addition expression and call _normal_ordered_form_factor to perform the
|
| 111 |
+
factor to an normally ordered expression.
|
| 112 |
+
"""
|
| 113 |
+
|
| 114 |
+
new_terms = []
|
| 115 |
+
for term in expr.args:
|
| 116 |
+
if isinstance(term, Mul):
|
| 117 |
+
new_term = _normal_ordered_form_factor(
|
| 118 |
+
term, recursive_limit=recursive_limit,
|
| 119 |
+
_recursive_depth=_recursive_depth, independent=independent)
|
| 120 |
+
new_terms.append(new_term)
|
| 121 |
+
else:
|
| 122 |
+
new_terms.append(term)
|
| 123 |
+
|
| 124 |
+
return Add(*new_terms)
|
| 125 |
+
|
| 126 |
+
|
| 127 |
+
def normal_ordered_form(expr, independent=False, recursive_limit=10,
|
| 128 |
+
_recursive_depth=0):
|
| 129 |
+
"""Write an expression with bosonic or fermionic operators on normal
|
| 130 |
+
ordered form, where each term is normally ordered. Note that this
|
| 131 |
+
normal ordered form is equivalent to the original expression.
|
| 132 |
+
|
| 133 |
+
Parameters
|
| 134 |
+
==========
|
| 135 |
+
|
| 136 |
+
expr : expression
|
| 137 |
+
The expression write on normal ordered form.
|
| 138 |
+
independent : bool (default False)
|
| 139 |
+
Whether to consider operator with different names as operating in
|
| 140 |
+
different Hilbert spaces. If False, the (anti-)commutation is left
|
| 141 |
+
explicit.
|
| 142 |
+
recursive_limit : int (default 10)
|
| 143 |
+
The number of allowed recursive applications of the function.
|
| 144 |
+
|
| 145 |
+
Examples
|
| 146 |
+
========
|
| 147 |
+
|
| 148 |
+
>>> from sympy.physics.quantum import Dagger
|
| 149 |
+
>>> from sympy.physics.quantum.boson import BosonOp
|
| 150 |
+
>>> from sympy.physics.quantum.operatorordering import normal_ordered_form
|
| 151 |
+
>>> a = BosonOp("a")
|
| 152 |
+
>>> normal_ordered_form(a * Dagger(a))
|
| 153 |
+
1 + Dagger(a)*a
|
| 154 |
+
"""
|
| 155 |
+
|
| 156 |
+
if _recursive_depth > recursive_limit:
|
| 157 |
+
warnings.warn("Too many recursions, aborting")
|
| 158 |
+
return expr
|
| 159 |
+
|
| 160 |
+
if isinstance(expr, Add):
|
| 161 |
+
return _normal_ordered_form_terms(expr,
|
| 162 |
+
recursive_limit=recursive_limit,
|
| 163 |
+
_recursive_depth=_recursive_depth,
|
| 164 |
+
independent=independent)
|
| 165 |
+
elif isinstance(expr, Mul):
|
| 166 |
+
return _normal_ordered_form_factor(expr,
|
| 167 |
+
recursive_limit=recursive_limit,
|
| 168 |
+
_recursive_depth=_recursive_depth,
|
| 169 |
+
independent=independent)
|
| 170 |
+
else:
|
| 171 |
+
return expr
|
| 172 |
+
|
| 173 |
+
|
| 174 |
+
def _normal_order_factor(product, recursive_limit=10, _recursive_depth=0):
|
| 175 |
+
"""
|
| 176 |
+
Helper function for normal_order: Normal order a multiplication expression
|
| 177 |
+
with bosonic or fermionic operators. In general the resulting operator
|
| 178 |
+
expression will not be equivalent to original product.
|
| 179 |
+
"""
|
| 180 |
+
|
| 181 |
+
factors = _expand_powers(product)
|
| 182 |
+
|
| 183 |
+
n = 0
|
| 184 |
+
new_factors = []
|
| 185 |
+
while n < len(factors) - 1:
|
| 186 |
+
|
| 187 |
+
if (isinstance(factors[n], BosonOp) and
|
| 188 |
+
factors[n].is_annihilation):
|
| 189 |
+
# boson
|
| 190 |
+
if not isinstance(factors[n + 1], BosonOp):
|
| 191 |
+
new_factors.append(factors[n])
|
| 192 |
+
else:
|
| 193 |
+
if factors[n + 1].is_annihilation:
|
| 194 |
+
new_factors.append(factors[n])
|
| 195 |
+
else:
|
| 196 |
+
if factors[n].args[0] != factors[n + 1].args[0]:
|
| 197 |
+
new_factors.append(factors[n + 1] * factors[n])
|
| 198 |
+
else:
|
| 199 |
+
new_factors.append(factors[n + 1] * factors[n])
|
| 200 |
+
n += 1
|
| 201 |
+
|
| 202 |
+
elif (isinstance(factors[n], FermionOp) and
|
| 203 |
+
factors[n].is_annihilation):
|
| 204 |
+
# fermion
|
| 205 |
+
if not isinstance(factors[n + 1], FermionOp):
|
| 206 |
+
new_factors.append(factors[n])
|
| 207 |
+
else:
|
| 208 |
+
if factors[n + 1].is_annihilation:
|
| 209 |
+
new_factors.append(factors[n])
|
| 210 |
+
else:
|
| 211 |
+
if factors[n].args[0] != factors[n + 1].args[0]:
|
| 212 |
+
new_factors.append(-factors[n + 1] * factors[n])
|
| 213 |
+
else:
|
| 214 |
+
new_factors.append(-factors[n + 1] * factors[n])
|
| 215 |
+
n += 1
|
| 216 |
+
|
| 217 |
+
else:
|
| 218 |
+
new_factors.append(factors[n])
|
| 219 |
+
|
| 220 |
+
n += 1
|
| 221 |
+
|
| 222 |
+
if n == len(factors) - 1:
|
| 223 |
+
new_factors.append(factors[-1])
|
| 224 |
+
|
| 225 |
+
if new_factors == factors:
|
| 226 |
+
return product
|
| 227 |
+
else:
|
| 228 |
+
expr = Mul(*new_factors).expand()
|
| 229 |
+
return normal_order(expr,
|
| 230 |
+
recursive_limit=recursive_limit,
|
| 231 |
+
_recursive_depth=_recursive_depth + 1)
|
| 232 |
+
|
| 233 |
+
|
| 234 |
+
def _normal_order_terms(expr, recursive_limit=10, _recursive_depth=0):
|
| 235 |
+
"""
|
| 236 |
+
Helper function for normal_order: look through each term in an addition
|
| 237 |
+
expression and call _normal_order_factor to perform the normal ordering
|
| 238 |
+
on the factors.
|
| 239 |
+
"""
|
| 240 |
+
|
| 241 |
+
new_terms = []
|
| 242 |
+
for term in expr.args:
|
| 243 |
+
if isinstance(term, Mul):
|
| 244 |
+
new_term = _normal_order_factor(term,
|
| 245 |
+
recursive_limit=recursive_limit,
|
| 246 |
+
_recursive_depth=_recursive_depth)
|
| 247 |
+
new_terms.append(new_term)
|
| 248 |
+
else:
|
| 249 |
+
new_terms.append(term)
|
| 250 |
+
|
| 251 |
+
return Add(*new_terms)
|
| 252 |
+
|
| 253 |
+
|
| 254 |
+
def normal_order(expr, recursive_limit=10, _recursive_depth=0):
|
| 255 |
+
"""Normal order an expression with bosonic or fermionic operators. Note
|
| 256 |
+
that this normal order is not equivalent to the original expression, but
|
| 257 |
+
the creation and annihilation operators in each term in expr is reordered
|
| 258 |
+
so that the expression becomes normal ordered.
|
| 259 |
+
|
| 260 |
+
Parameters
|
| 261 |
+
==========
|
| 262 |
+
|
| 263 |
+
expr : expression
|
| 264 |
+
The expression to normal order.
|
| 265 |
+
|
| 266 |
+
recursive_limit : int (default 10)
|
| 267 |
+
The number of allowed recursive applications of the function.
|
| 268 |
+
|
| 269 |
+
Examples
|
| 270 |
+
========
|
| 271 |
+
|
| 272 |
+
>>> from sympy.physics.quantum import Dagger
|
| 273 |
+
>>> from sympy.physics.quantum.boson import BosonOp
|
| 274 |
+
>>> from sympy.physics.quantum.operatorordering import normal_order
|
| 275 |
+
>>> a = BosonOp("a")
|
| 276 |
+
>>> normal_order(a * Dagger(a))
|
| 277 |
+
Dagger(a)*a
|
| 278 |
+
"""
|
| 279 |
+
if _recursive_depth > recursive_limit:
|
| 280 |
+
warnings.warn("Too many recursions, aborting")
|
| 281 |
+
return expr
|
| 282 |
+
|
| 283 |
+
if isinstance(expr, Add):
|
| 284 |
+
return _normal_order_terms(expr, recursive_limit=recursive_limit,
|
| 285 |
+
_recursive_depth=_recursive_depth)
|
| 286 |
+
elif isinstance(expr, Mul):
|
| 287 |
+
return _normal_order_factor(expr, recursive_limit=recursive_limit,
|
| 288 |
+
_recursive_depth=_recursive_depth)
|
| 289 |
+
else:
|
| 290 |
+
return expr
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/pauli.py
ADDED
|
@@ -0,0 +1,675 @@
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|
| 1 |
+
"""Pauli operators and states"""
|
| 2 |
+
|
| 3 |
+
from sympy.core.add import Add
|
| 4 |
+
from sympy.core.mul import Mul
|
| 5 |
+
from sympy.core.numbers import I
|
| 6 |
+
from sympy.core.power import Pow
|
| 7 |
+
from sympy.core.singleton import S
|
| 8 |
+
from sympy.functions.elementary.exponential import exp
|
| 9 |
+
from sympy.physics.quantum import Operator, Ket, Bra
|
| 10 |
+
from sympy.physics.quantum import ComplexSpace
|
| 11 |
+
from sympy.matrices import Matrix
|
| 12 |
+
from sympy.functions.special.tensor_functions import KroneckerDelta
|
| 13 |
+
|
| 14 |
+
__all__ = [
|
| 15 |
+
'SigmaX', 'SigmaY', 'SigmaZ', 'SigmaMinus', 'SigmaPlus', 'SigmaZKet',
|
| 16 |
+
'SigmaZBra', 'qsimplify_pauli'
|
| 17 |
+
]
|
| 18 |
+
|
| 19 |
+
|
| 20 |
+
class SigmaOpBase(Operator):
|
| 21 |
+
"""Pauli sigma operator, base class"""
|
| 22 |
+
|
| 23 |
+
@property
|
| 24 |
+
def name(self):
|
| 25 |
+
return self.args[0]
|
| 26 |
+
|
| 27 |
+
@property
|
| 28 |
+
def use_name(self):
|
| 29 |
+
return bool(self.args[0]) is not False
|
| 30 |
+
|
| 31 |
+
@classmethod
|
| 32 |
+
def default_args(self):
|
| 33 |
+
return (False,)
|
| 34 |
+
|
| 35 |
+
def __new__(cls, *args, **hints):
|
| 36 |
+
return Operator.__new__(cls, *args, **hints)
|
| 37 |
+
|
| 38 |
+
def _eval_commutator_BosonOp(self, other, **hints):
|
| 39 |
+
return S.Zero
|
| 40 |
+
|
| 41 |
+
|
| 42 |
+
class SigmaX(SigmaOpBase):
|
| 43 |
+
"""Pauli sigma x operator
|
| 44 |
+
|
| 45 |
+
Parameters
|
| 46 |
+
==========
|
| 47 |
+
|
| 48 |
+
name : str
|
| 49 |
+
An optional string that labels the operator. Pauli operators with
|
| 50 |
+
different names commute.
|
| 51 |
+
|
| 52 |
+
Examples
|
| 53 |
+
========
|
| 54 |
+
|
| 55 |
+
>>> from sympy.physics.quantum import represent
|
| 56 |
+
>>> from sympy.physics.quantum.pauli import SigmaX
|
| 57 |
+
>>> sx = SigmaX()
|
| 58 |
+
>>> sx
|
| 59 |
+
SigmaX()
|
| 60 |
+
>>> represent(sx)
|
| 61 |
+
Matrix([
|
| 62 |
+
[0, 1],
|
| 63 |
+
[1, 0]])
|
| 64 |
+
"""
|
| 65 |
+
|
| 66 |
+
def __new__(cls, *args, **hints):
|
| 67 |
+
return SigmaOpBase.__new__(cls, *args, **hints)
|
| 68 |
+
|
| 69 |
+
def _eval_commutator_SigmaY(self, other, **hints):
|
| 70 |
+
if self.name != other.name:
|
| 71 |
+
return S.Zero
|
| 72 |
+
else:
|
| 73 |
+
return 2 * I * SigmaZ(self.name)
|
| 74 |
+
|
| 75 |
+
def _eval_commutator_SigmaZ(self, other, **hints):
|
| 76 |
+
if self.name != other.name:
|
| 77 |
+
return S.Zero
|
| 78 |
+
else:
|
| 79 |
+
return - 2 * I * SigmaY(self.name)
|
| 80 |
+
|
| 81 |
+
def _eval_commutator_BosonOp(self, other, **hints):
|
| 82 |
+
return S.Zero
|
| 83 |
+
|
| 84 |
+
def _eval_anticommutator_SigmaY(self, other, **hints):
|
| 85 |
+
return S.Zero
|
| 86 |
+
|
| 87 |
+
def _eval_anticommutator_SigmaZ(self, other, **hints):
|
| 88 |
+
return S.Zero
|
| 89 |
+
|
| 90 |
+
def _eval_adjoint(self):
|
| 91 |
+
return self
|
| 92 |
+
|
| 93 |
+
def _print_contents_latex(self, printer, *args):
|
| 94 |
+
if self.use_name:
|
| 95 |
+
return r'{\sigma_x^{(%s)}}' % str(self.name)
|
| 96 |
+
else:
|
| 97 |
+
return r'{\sigma_x}'
|
| 98 |
+
|
| 99 |
+
def _print_contents(self, printer, *args):
|
| 100 |
+
return 'SigmaX()'
|
| 101 |
+
|
| 102 |
+
def _eval_power(self, e):
|
| 103 |
+
if e.is_Integer and e.is_positive:
|
| 104 |
+
return SigmaX(self.name).__pow__(int(e) % 2)
|
| 105 |
+
|
| 106 |
+
def _represent_default_basis(self, **options):
|
| 107 |
+
format = options.get('format', 'sympy')
|
| 108 |
+
if format == 'sympy':
|
| 109 |
+
return Matrix([[0, 1], [1, 0]])
|
| 110 |
+
else:
|
| 111 |
+
raise NotImplementedError('Representation in format ' +
|
| 112 |
+
format + ' not implemented.')
|
| 113 |
+
|
| 114 |
+
|
| 115 |
+
class SigmaY(SigmaOpBase):
|
| 116 |
+
"""Pauli sigma y operator
|
| 117 |
+
|
| 118 |
+
Parameters
|
| 119 |
+
==========
|
| 120 |
+
|
| 121 |
+
name : str
|
| 122 |
+
An optional string that labels the operator. Pauli operators with
|
| 123 |
+
different names commute.
|
| 124 |
+
|
| 125 |
+
Examples
|
| 126 |
+
========
|
| 127 |
+
|
| 128 |
+
>>> from sympy.physics.quantum import represent
|
| 129 |
+
>>> from sympy.physics.quantum.pauli import SigmaY
|
| 130 |
+
>>> sy = SigmaY()
|
| 131 |
+
>>> sy
|
| 132 |
+
SigmaY()
|
| 133 |
+
>>> represent(sy)
|
| 134 |
+
Matrix([
|
| 135 |
+
[0, -I],
|
| 136 |
+
[I, 0]])
|
| 137 |
+
"""
|
| 138 |
+
|
| 139 |
+
def __new__(cls, *args, **hints):
|
| 140 |
+
return SigmaOpBase.__new__(cls, *args)
|
| 141 |
+
|
| 142 |
+
def _eval_commutator_SigmaZ(self, other, **hints):
|
| 143 |
+
if self.name != other.name:
|
| 144 |
+
return S.Zero
|
| 145 |
+
else:
|
| 146 |
+
return 2 * I * SigmaX(self.name)
|
| 147 |
+
|
| 148 |
+
def _eval_commutator_SigmaX(self, other, **hints):
|
| 149 |
+
if self.name != other.name:
|
| 150 |
+
return S.Zero
|
| 151 |
+
else:
|
| 152 |
+
return - 2 * I * SigmaZ(self.name)
|
| 153 |
+
|
| 154 |
+
def _eval_anticommutator_SigmaX(self, other, **hints):
|
| 155 |
+
return S.Zero
|
| 156 |
+
|
| 157 |
+
def _eval_anticommutator_SigmaZ(self, other, **hints):
|
| 158 |
+
return S.Zero
|
| 159 |
+
|
| 160 |
+
def _eval_adjoint(self):
|
| 161 |
+
return self
|
| 162 |
+
|
| 163 |
+
def _print_contents_latex(self, printer, *args):
|
| 164 |
+
if self.use_name:
|
| 165 |
+
return r'{\sigma_y^{(%s)}}' % str(self.name)
|
| 166 |
+
else:
|
| 167 |
+
return r'{\sigma_y}'
|
| 168 |
+
|
| 169 |
+
def _print_contents(self, printer, *args):
|
| 170 |
+
return 'SigmaY()'
|
| 171 |
+
|
| 172 |
+
def _eval_power(self, e):
|
| 173 |
+
if e.is_Integer and e.is_positive:
|
| 174 |
+
return SigmaY(self.name).__pow__(int(e) % 2)
|
| 175 |
+
|
| 176 |
+
def _represent_default_basis(self, **options):
|
| 177 |
+
format = options.get('format', 'sympy')
|
| 178 |
+
if format == 'sympy':
|
| 179 |
+
return Matrix([[0, -I], [I, 0]])
|
| 180 |
+
else:
|
| 181 |
+
raise NotImplementedError('Representation in format ' +
|
| 182 |
+
format + ' not implemented.')
|
| 183 |
+
|
| 184 |
+
|
| 185 |
+
class SigmaZ(SigmaOpBase):
|
| 186 |
+
"""Pauli sigma z operator
|
| 187 |
+
|
| 188 |
+
Parameters
|
| 189 |
+
==========
|
| 190 |
+
|
| 191 |
+
name : str
|
| 192 |
+
An optional string that labels the operator. Pauli operators with
|
| 193 |
+
different names commute.
|
| 194 |
+
|
| 195 |
+
Examples
|
| 196 |
+
========
|
| 197 |
+
|
| 198 |
+
>>> from sympy.physics.quantum import represent
|
| 199 |
+
>>> from sympy.physics.quantum.pauli import SigmaZ
|
| 200 |
+
>>> sz = SigmaZ()
|
| 201 |
+
>>> sz ** 3
|
| 202 |
+
SigmaZ()
|
| 203 |
+
>>> represent(sz)
|
| 204 |
+
Matrix([
|
| 205 |
+
[1, 0],
|
| 206 |
+
[0, -1]])
|
| 207 |
+
"""
|
| 208 |
+
|
| 209 |
+
def __new__(cls, *args, **hints):
|
| 210 |
+
return SigmaOpBase.__new__(cls, *args)
|
| 211 |
+
|
| 212 |
+
def _eval_commutator_SigmaX(self, other, **hints):
|
| 213 |
+
if self.name != other.name:
|
| 214 |
+
return S.Zero
|
| 215 |
+
else:
|
| 216 |
+
return 2 * I * SigmaY(self.name)
|
| 217 |
+
|
| 218 |
+
def _eval_commutator_SigmaY(self, other, **hints):
|
| 219 |
+
if self.name != other.name:
|
| 220 |
+
return S.Zero
|
| 221 |
+
else:
|
| 222 |
+
return - 2 * I * SigmaX(self.name)
|
| 223 |
+
|
| 224 |
+
def _eval_anticommutator_SigmaX(self, other, **hints):
|
| 225 |
+
return S.Zero
|
| 226 |
+
|
| 227 |
+
def _eval_anticommutator_SigmaY(self, other, **hints):
|
| 228 |
+
return S.Zero
|
| 229 |
+
|
| 230 |
+
def _eval_adjoint(self):
|
| 231 |
+
return self
|
| 232 |
+
|
| 233 |
+
def _print_contents_latex(self, printer, *args):
|
| 234 |
+
if self.use_name:
|
| 235 |
+
return r'{\sigma_z^{(%s)}}' % str(self.name)
|
| 236 |
+
else:
|
| 237 |
+
return r'{\sigma_z}'
|
| 238 |
+
|
| 239 |
+
def _print_contents(self, printer, *args):
|
| 240 |
+
return 'SigmaZ()'
|
| 241 |
+
|
| 242 |
+
def _eval_power(self, e):
|
| 243 |
+
if e.is_Integer and e.is_positive:
|
| 244 |
+
return SigmaZ(self.name).__pow__(int(e) % 2)
|
| 245 |
+
|
| 246 |
+
def _represent_default_basis(self, **options):
|
| 247 |
+
format = options.get('format', 'sympy')
|
| 248 |
+
if format == 'sympy':
|
| 249 |
+
return Matrix([[1, 0], [0, -1]])
|
| 250 |
+
else:
|
| 251 |
+
raise NotImplementedError('Representation in format ' +
|
| 252 |
+
format + ' not implemented.')
|
| 253 |
+
|
| 254 |
+
|
| 255 |
+
class SigmaMinus(SigmaOpBase):
|
| 256 |
+
"""Pauli sigma minus operator
|
| 257 |
+
|
| 258 |
+
Parameters
|
| 259 |
+
==========
|
| 260 |
+
|
| 261 |
+
name : str
|
| 262 |
+
An optional string that labels the operator. Pauli operators with
|
| 263 |
+
different names commute.
|
| 264 |
+
|
| 265 |
+
Examples
|
| 266 |
+
========
|
| 267 |
+
|
| 268 |
+
>>> from sympy.physics.quantum import represent, Dagger
|
| 269 |
+
>>> from sympy.physics.quantum.pauli import SigmaMinus
|
| 270 |
+
>>> sm = SigmaMinus()
|
| 271 |
+
>>> sm
|
| 272 |
+
SigmaMinus()
|
| 273 |
+
>>> Dagger(sm)
|
| 274 |
+
SigmaPlus()
|
| 275 |
+
>>> represent(sm)
|
| 276 |
+
Matrix([
|
| 277 |
+
[0, 0],
|
| 278 |
+
[1, 0]])
|
| 279 |
+
"""
|
| 280 |
+
|
| 281 |
+
def __new__(cls, *args, **hints):
|
| 282 |
+
return SigmaOpBase.__new__(cls, *args)
|
| 283 |
+
|
| 284 |
+
def _eval_commutator_SigmaX(self, other, **hints):
|
| 285 |
+
if self.name != other.name:
|
| 286 |
+
return S.Zero
|
| 287 |
+
else:
|
| 288 |
+
return -SigmaZ(self.name)
|
| 289 |
+
|
| 290 |
+
def _eval_commutator_SigmaY(self, other, **hints):
|
| 291 |
+
if self.name != other.name:
|
| 292 |
+
return S.Zero
|
| 293 |
+
else:
|
| 294 |
+
return I * SigmaZ(self.name)
|
| 295 |
+
|
| 296 |
+
def _eval_commutator_SigmaZ(self, other, **hints):
|
| 297 |
+
return 2 * self
|
| 298 |
+
|
| 299 |
+
def _eval_commutator_SigmaMinus(self, other, **hints):
|
| 300 |
+
return SigmaZ(self.name)
|
| 301 |
+
|
| 302 |
+
def _eval_anticommutator_SigmaZ(self, other, **hints):
|
| 303 |
+
return S.Zero
|
| 304 |
+
|
| 305 |
+
def _eval_anticommutator_SigmaX(self, other, **hints):
|
| 306 |
+
return S.One
|
| 307 |
+
|
| 308 |
+
def _eval_anticommutator_SigmaY(self, other, **hints):
|
| 309 |
+
return I * S.NegativeOne
|
| 310 |
+
|
| 311 |
+
def _eval_anticommutator_SigmaPlus(self, other, **hints):
|
| 312 |
+
return S.One
|
| 313 |
+
|
| 314 |
+
def _eval_adjoint(self):
|
| 315 |
+
return SigmaPlus(self.name)
|
| 316 |
+
|
| 317 |
+
def _eval_power(self, e):
|
| 318 |
+
if e.is_Integer and e.is_positive:
|
| 319 |
+
return S.Zero
|
| 320 |
+
|
| 321 |
+
def _print_contents_latex(self, printer, *args):
|
| 322 |
+
if self.use_name:
|
| 323 |
+
return r'{\sigma_-^{(%s)}}' % str(self.name)
|
| 324 |
+
else:
|
| 325 |
+
return r'{\sigma_-}'
|
| 326 |
+
|
| 327 |
+
def _print_contents(self, printer, *args):
|
| 328 |
+
return 'SigmaMinus()'
|
| 329 |
+
|
| 330 |
+
def _represent_default_basis(self, **options):
|
| 331 |
+
format = options.get('format', 'sympy')
|
| 332 |
+
if format == 'sympy':
|
| 333 |
+
return Matrix([[0, 0], [1, 0]])
|
| 334 |
+
else:
|
| 335 |
+
raise NotImplementedError('Representation in format ' +
|
| 336 |
+
format + ' not implemented.')
|
| 337 |
+
|
| 338 |
+
|
| 339 |
+
class SigmaPlus(SigmaOpBase):
|
| 340 |
+
"""Pauli sigma plus operator
|
| 341 |
+
|
| 342 |
+
Parameters
|
| 343 |
+
==========
|
| 344 |
+
|
| 345 |
+
name : str
|
| 346 |
+
An optional string that labels the operator. Pauli operators with
|
| 347 |
+
different names commute.
|
| 348 |
+
|
| 349 |
+
Examples
|
| 350 |
+
========
|
| 351 |
+
|
| 352 |
+
>>> from sympy.physics.quantum import represent, Dagger
|
| 353 |
+
>>> from sympy.physics.quantum.pauli import SigmaPlus
|
| 354 |
+
>>> sp = SigmaPlus()
|
| 355 |
+
>>> sp
|
| 356 |
+
SigmaPlus()
|
| 357 |
+
>>> Dagger(sp)
|
| 358 |
+
SigmaMinus()
|
| 359 |
+
>>> represent(sp)
|
| 360 |
+
Matrix([
|
| 361 |
+
[0, 1],
|
| 362 |
+
[0, 0]])
|
| 363 |
+
"""
|
| 364 |
+
|
| 365 |
+
def __new__(cls, *args, **hints):
|
| 366 |
+
return SigmaOpBase.__new__(cls, *args)
|
| 367 |
+
|
| 368 |
+
def _eval_commutator_SigmaX(self, other, **hints):
|
| 369 |
+
if self.name != other.name:
|
| 370 |
+
return S.Zero
|
| 371 |
+
else:
|
| 372 |
+
return SigmaZ(self.name)
|
| 373 |
+
|
| 374 |
+
def _eval_commutator_SigmaY(self, other, **hints):
|
| 375 |
+
if self.name != other.name:
|
| 376 |
+
return S.Zero
|
| 377 |
+
else:
|
| 378 |
+
return I * SigmaZ(self.name)
|
| 379 |
+
|
| 380 |
+
def _eval_commutator_SigmaZ(self, other, **hints):
|
| 381 |
+
if self.name != other.name:
|
| 382 |
+
return S.Zero
|
| 383 |
+
else:
|
| 384 |
+
return -2 * self
|
| 385 |
+
|
| 386 |
+
def _eval_commutator_SigmaMinus(self, other, **hints):
|
| 387 |
+
return SigmaZ(self.name)
|
| 388 |
+
|
| 389 |
+
def _eval_anticommutator_SigmaZ(self, other, **hints):
|
| 390 |
+
return S.Zero
|
| 391 |
+
|
| 392 |
+
def _eval_anticommutator_SigmaX(self, other, **hints):
|
| 393 |
+
return S.One
|
| 394 |
+
|
| 395 |
+
def _eval_anticommutator_SigmaY(self, other, **hints):
|
| 396 |
+
return I
|
| 397 |
+
|
| 398 |
+
def _eval_anticommutator_SigmaMinus(self, other, **hints):
|
| 399 |
+
return S.One
|
| 400 |
+
|
| 401 |
+
def _eval_adjoint(self):
|
| 402 |
+
return SigmaMinus(self.name)
|
| 403 |
+
|
| 404 |
+
def _eval_mul(self, other):
|
| 405 |
+
return self * other
|
| 406 |
+
|
| 407 |
+
def _eval_power(self, e):
|
| 408 |
+
if e.is_Integer and e.is_positive:
|
| 409 |
+
return S.Zero
|
| 410 |
+
|
| 411 |
+
def _print_contents_latex(self, printer, *args):
|
| 412 |
+
if self.use_name:
|
| 413 |
+
return r'{\sigma_+^{(%s)}}' % str(self.name)
|
| 414 |
+
else:
|
| 415 |
+
return r'{\sigma_+}'
|
| 416 |
+
|
| 417 |
+
def _print_contents(self, printer, *args):
|
| 418 |
+
return 'SigmaPlus()'
|
| 419 |
+
|
| 420 |
+
def _represent_default_basis(self, **options):
|
| 421 |
+
format = options.get('format', 'sympy')
|
| 422 |
+
if format == 'sympy':
|
| 423 |
+
return Matrix([[0, 1], [0, 0]])
|
| 424 |
+
else:
|
| 425 |
+
raise NotImplementedError('Representation in format ' +
|
| 426 |
+
format + ' not implemented.')
|
| 427 |
+
|
| 428 |
+
|
| 429 |
+
class SigmaZKet(Ket):
|
| 430 |
+
"""Ket for a two-level system quantum system.
|
| 431 |
+
|
| 432 |
+
Parameters
|
| 433 |
+
==========
|
| 434 |
+
|
| 435 |
+
n : Number
|
| 436 |
+
The state number (0 or 1).
|
| 437 |
+
|
| 438 |
+
"""
|
| 439 |
+
|
| 440 |
+
def __new__(cls, n):
|
| 441 |
+
if n not in (0, 1):
|
| 442 |
+
raise ValueError("n must be 0 or 1")
|
| 443 |
+
return Ket.__new__(cls, n)
|
| 444 |
+
|
| 445 |
+
@property
|
| 446 |
+
def n(self):
|
| 447 |
+
return self.label[0]
|
| 448 |
+
|
| 449 |
+
@classmethod
|
| 450 |
+
def dual_class(self):
|
| 451 |
+
return SigmaZBra
|
| 452 |
+
|
| 453 |
+
@classmethod
|
| 454 |
+
def _eval_hilbert_space(cls, label):
|
| 455 |
+
return ComplexSpace(2)
|
| 456 |
+
|
| 457 |
+
def _eval_innerproduct_SigmaZBra(self, bra, **hints):
|
| 458 |
+
return KroneckerDelta(self.n, bra.n)
|
| 459 |
+
|
| 460 |
+
def _apply_from_right_to_SigmaZ(self, op, **options):
|
| 461 |
+
if self.n == 0:
|
| 462 |
+
return self
|
| 463 |
+
else:
|
| 464 |
+
return S.NegativeOne * self
|
| 465 |
+
|
| 466 |
+
def _apply_from_right_to_SigmaX(self, op, **options):
|
| 467 |
+
return SigmaZKet(1) if self.n == 0 else SigmaZKet(0)
|
| 468 |
+
|
| 469 |
+
def _apply_from_right_to_SigmaY(self, op, **options):
|
| 470 |
+
return I * SigmaZKet(1) if self.n == 0 else (-I) * SigmaZKet(0)
|
| 471 |
+
|
| 472 |
+
def _apply_from_right_to_SigmaMinus(self, op, **options):
|
| 473 |
+
if self.n == 0:
|
| 474 |
+
return SigmaZKet(1)
|
| 475 |
+
else:
|
| 476 |
+
return S.Zero
|
| 477 |
+
|
| 478 |
+
def _apply_from_right_to_SigmaPlus(self, op, **options):
|
| 479 |
+
if self.n == 0:
|
| 480 |
+
return S.Zero
|
| 481 |
+
else:
|
| 482 |
+
return SigmaZKet(0)
|
| 483 |
+
|
| 484 |
+
def _represent_default_basis(self, **options):
|
| 485 |
+
format = options.get('format', 'sympy')
|
| 486 |
+
if format == 'sympy':
|
| 487 |
+
return Matrix([[1], [0]]) if self.n == 0 else Matrix([[0], [1]])
|
| 488 |
+
else:
|
| 489 |
+
raise NotImplementedError('Representation in format ' +
|
| 490 |
+
format + ' not implemented.')
|
| 491 |
+
|
| 492 |
+
|
| 493 |
+
class SigmaZBra(Bra):
|
| 494 |
+
"""Bra for a two-level quantum system.
|
| 495 |
+
|
| 496 |
+
Parameters
|
| 497 |
+
==========
|
| 498 |
+
|
| 499 |
+
n : Number
|
| 500 |
+
The state number (0 or 1).
|
| 501 |
+
|
| 502 |
+
"""
|
| 503 |
+
|
| 504 |
+
def __new__(cls, n):
|
| 505 |
+
if n not in (0, 1):
|
| 506 |
+
raise ValueError("n must be 0 or 1")
|
| 507 |
+
return Bra.__new__(cls, n)
|
| 508 |
+
|
| 509 |
+
@property
|
| 510 |
+
def n(self):
|
| 511 |
+
return self.label[0]
|
| 512 |
+
|
| 513 |
+
@classmethod
|
| 514 |
+
def dual_class(self):
|
| 515 |
+
return SigmaZKet
|
| 516 |
+
|
| 517 |
+
|
| 518 |
+
def _qsimplify_pauli_product(a, b):
|
| 519 |
+
"""
|
| 520 |
+
Internal helper function for simplifying products of Pauli operators.
|
| 521 |
+
"""
|
| 522 |
+
if not (isinstance(a, SigmaOpBase) and isinstance(b, SigmaOpBase)):
|
| 523 |
+
return Mul(a, b)
|
| 524 |
+
|
| 525 |
+
if a.name != b.name:
|
| 526 |
+
# Pauli matrices with different labels commute; sort by name
|
| 527 |
+
if a.name < b.name:
|
| 528 |
+
return Mul(a, b)
|
| 529 |
+
else:
|
| 530 |
+
return Mul(b, a)
|
| 531 |
+
|
| 532 |
+
elif isinstance(a, SigmaX):
|
| 533 |
+
|
| 534 |
+
if isinstance(b, SigmaX):
|
| 535 |
+
return S.One
|
| 536 |
+
|
| 537 |
+
if isinstance(b, SigmaY):
|
| 538 |
+
return I * SigmaZ(a.name)
|
| 539 |
+
|
| 540 |
+
if isinstance(b, SigmaZ):
|
| 541 |
+
return - I * SigmaY(a.name)
|
| 542 |
+
|
| 543 |
+
if isinstance(b, SigmaMinus):
|
| 544 |
+
return (S.Half + SigmaZ(a.name)/2)
|
| 545 |
+
|
| 546 |
+
if isinstance(b, SigmaPlus):
|
| 547 |
+
return (S.Half - SigmaZ(a.name)/2)
|
| 548 |
+
|
| 549 |
+
elif isinstance(a, SigmaY):
|
| 550 |
+
|
| 551 |
+
if isinstance(b, SigmaX):
|
| 552 |
+
return - I * SigmaZ(a.name)
|
| 553 |
+
|
| 554 |
+
if isinstance(b, SigmaY):
|
| 555 |
+
return S.One
|
| 556 |
+
|
| 557 |
+
if isinstance(b, SigmaZ):
|
| 558 |
+
return I * SigmaX(a.name)
|
| 559 |
+
|
| 560 |
+
if isinstance(b, SigmaMinus):
|
| 561 |
+
return -I * (S.One + SigmaZ(a.name))/2
|
| 562 |
+
|
| 563 |
+
if isinstance(b, SigmaPlus):
|
| 564 |
+
return I * (S.One - SigmaZ(a.name))/2
|
| 565 |
+
|
| 566 |
+
elif isinstance(a, SigmaZ):
|
| 567 |
+
|
| 568 |
+
if isinstance(b, SigmaX):
|
| 569 |
+
return I * SigmaY(a.name)
|
| 570 |
+
|
| 571 |
+
if isinstance(b, SigmaY):
|
| 572 |
+
return - I * SigmaX(a.name)
|
| 573 |
+
|
| 574 |
+
if isinstance(b, SigmaZ):
|
| 575 |
+
return S.One
|
| 576 |
+
|
| 577 |
+
if isinstance(b, SigmaMinus):
|
| 578 |
+
return - SigmaMinus(a.name)
|
| 579 |
+
|
| 580 |
+
if isinstance(b, SigmaPlus):
|
| 581 |
+
return SigmaPlus(a.name)
|
| 582 |
+
|
| 583 |
+
elif isinstance(a, SigmaMinus):
|
| 584 |
+
|
| 585 |
+
if isinstance(b, SigmaX):
|
| 586 |
+
return (S.One - SigmaZ(a.name))/2
|
| 587 |
+
|
| 588 |
+
if isinstance(b, SigmaY):
|
| 589 |
+
return - I * (S.One - SigmaZ(a.name))/2
|
| 590 |
+
|
| 591 |
+
if isinstance(b, SigmaZ):
|
| 592 |
+
# (SigmaX(a.name) - I * SigmaY(a.name))/2
|
| 593 |
+
return SigmaMinus(b.name)
|
| 594 |
+
|
| 595 |
+
if isinstance(b, SigmaMinus):
|
| 596 |
+
return S.Zero
|
| 597 |
+
|
| 598 |
+
if isinstance(b, SigmaPlus):
|
| 599 |
+
return S.Half - SigmaZ(a.name)/2
|
| 600 |
+
|
| 601 |
+
elif isinstance(a, SigmaPlus):
|
| 602 |
+
|
| 603 |
+
if isinstance(b, SigmaX):
|
| 604 |
+
return (S.One + SigmaZ(a.name))/2
|
| 605 |
+
|
| 606 |
+
if isinstance(b, SigmaY):
|
| 607 |
+
return I * (S.One + SigmaZ(a.name))/2
|
| 608 |
+
|
| 609 |
+
if isinstance(b, SigmaZ):
|
| 610 |
+
#-(SigmaX(a.name) + I * SigmaY(a.name))/2
|
| 611 |
+
return -SigmaPlus(a.name)
|
| 612 |
+
|
| 613 |
+
if isinstance(b, SigmaMinus):
|
| 614 |
+
return (S.One + SigmaZ(a.name))/2
|
| 615 |
+
|
| 616 |
+
if isinstance(b, SigmaPlus):
|
| 617 |
+
return S.Zero
|
| 618 |
+
|
| 619 |
+
else:
|
| 620 |
+
return a * b
|
| 621 |
+
|
| 622 |
+
|
| 623 |
+
def qsimplify_pauli(e):
|
| 624 |
+
"""
|
| 625 |
+
Simplify an expression that includes products of pauli operators.
|
| 626 |
+
|
| 627 |
+
Parameters
|
| 628 |
+
==========
|
| 629 |
+
|
| 630 |
+
e : expression
|
| 631 |
+
An expression that contains products of Pauli operators that is
|
| 632 |
+
to be simplified.
|
| 633 |
+
|
| 634 |
+
Examples
|
| 635 |
+
========
|
| 636 |
+
|
| 637 |
+
>>> from sympy.physics.quantum.pauli import SigmaX, SigmaY
|
| 638 |
+
>>> from sympy.physics.quantum.pauli import qsimplify_pauli
|
| 639 |
+
>>> sx, sy = SigmaX(), SigmaY()
|
| 640 |
+
>>> sx * sy
|
| 641 |
+
SigmaX()*SigmaY()
|
| 642 |
+
>>> qsimplify_pauli(sx * sy)
|
| 643 |
+
I*SigmaZ()
|
| 644 |
+
"""
|
| 645 |
+
if isinstance(e, Operator):
|
| 646 |
+
return e
|
| 647 |
+
|
| 648 |
+
if isinstance(e, (Add, Pow, exp)):
|
| 649 |
+
t = type(e)
|
| 650 |
+
return t(*(qsimplify_pauli(arg) for arg in e.args))
|
| 651 |
+
|
| 652 |
+
if isinstance(e, Mul):
|
| 653 |
+
|
| 654 |
+
c, nc = e.args_cnc()
|
| 655 |
+
|
| 656 |
+
nc_s = []
|
| 657 |
+
while nc:
|
| 658 |
+
curr = nc.pop(0)
|
| 659 |
+
|
| 660 |
+
while (len(nc) and
|
| 661 |
+
isinstance(curr, SigmaOpBase) and
|
| 662 |
+
isinstance(nc[0], SigmaOpBase) and
|
| 663 |
+
curr.name == nc[0].name):
|
| 664 |
+
|
| 665 |
+
x = nc.pop(0)
|
| 666 |
+
y = _qsimplify_pauli_product(curr, x)
|
| 667 |
+
c1, nc1 = y.args_cnc()
|
| 668 |
+
curr = Mul(*nc1)
|
| 669 |
+
c = c + c1
|
| 670 |
+
|
| 671 |
+
nc_s.append(curr)
|
| 672 |
+
|
| 673 |
+
return Mul(*c) * Mul(*nc_s)
|
| 674 |
+
|
| 675 |
+
return e
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/piab.py
ADDED
|
@@ -0,0 +1,72 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""1D quantum particle in a box."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import pi
|
| 4 |
+
from sympy.core.singleton import S
|
| 5 |
+
from sympy.core.symbol import Symbol
|
| 6 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 7 |
+
from sympy.functions.elementary.trigonometric import sin
|
| 8 |
+
from sympy.sets.sets import Interval
|
| 9 |
+
|
| 10 |
+
from sympy.physics.quantum.operator import HermitianOperator
|
| 11 |
+
from sympy.physics.quantum.state import Ket, Bra
|
| 12 |
+
from sympy.physics.quantum.constants import hbar
|
| 13 |
+
from sympy.functions.special.tensor_functions import KroneckerDelta
|
| 14 |
+
from sympy.physics.quantum.hilbert import L2
|
| 15 |
+
|
| 16 |
+
m = Symbol('m')
|
| 17 |
+
L = Symbol('L')
|
| 18 |
+
|
| 19 |
+
|
| 20 |
+
__all__ = [
|
| 21 |
+
'PIABHamiltonian',
|
| 22 |
+
'PIABKet',
|
| 23 |
+
'PIABBra'
|
| 24 |
+
]
|
| 25 |
+
|
| 26 |
+
|
| 27 |
+
class PIABHamiltonian(HermitianOperator):
|
| 28 |
+
"""Particle in a box Hamiltonian operator."""
|
| 29 |
+
|
| 30 |
+
@classmethod
|
| 31 |
+
def _eval_hilbert_space(cls, label):
|
| 32 |
+
return L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 33 |
+
|
| 34 |
+
def _apply_operator_PIABKet(self, ket, **options):
|
| 35 |
+
n = ket.label[0]
|
| 36 |
+
return (n**2*pi**2*hbar**2)/(2*m*L**2)*ket
|
| 37 |
+
|
| 38 |
+
|
| 39 |
+
class PIABKet(Ket):
|
| 40 |
+
"""Particle in a box eigenket."""
|
| 41 |
+
|
| 42 |
+
@classmethod
|
| 43 |
+
def _eval_hilbert_space(cls, args):
|
| 44 |
+
return L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 45 |
+
|
| 46 |
+
@classmethod
|
| 47 |
+
def dual_class(self):
|
| 48 |
+
return PIABBra
|
| 49 |
+
|
| 50 |
+
def _represent_default_basis(self, **options):
|
| 51 |
+
return self._represent_XOp(None, **options)
|
| 52 |
+
|
| 53 |
+
def _represent_XOp(self, basis, **options):
|
| 54 |
+
x = Symbol('x')
|
| 55 |
+
n = Symbol('n')
|
| 56 |
+
subs_info = options.get('subs', {})
|
| 57 |
+
return sqrt(2/L)*sin(n*pi*x/L).subs(subs_info)
|
| 58 |
+
|
| 59 |
+
def _eval_innerproduct_PIABBra(self, bra):
|
| 60 |
+
return KroneckerDelta(bra.label[0], self.label[0])
|
| 61 |
+
|
| 62 |
+
|
| 63 |
+
class PIABBra(Bra):
|
| 64 |
+
"""Particle in a box eigenbra."""
|
| 65 |
+
|
| 66 |
+
@classmethod
|
| 67 |
+
def _eval_hilbert_space(cls, label):
|
| 68 |
+
return L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 69 |
+
|
| 70 |
+
@classmethod
|
| 71 |
+
def dual_class(self):
|
| 72 |
+
return PIABKet
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/qapply.py
ADDED
|
@@ -0,0 +1,212 @@
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
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|
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|
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|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
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|
|
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|
|
|
|
|
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|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Logic for applying operators to states.
|
| 2 |
+
|
| 3 |
+
Todo:
|
| 4 |
+
* Sometimes the final result needs to be expanded, we should do this by hand.
|
| 5 |
+
"""
|
| 6 |
+
|
| 7 |
+
from sympy.core.add import Add
|
| 8 |
+
from sympy.core.mul import Mul
|
| 9 |
+
from sympy.core.power import Pow
|
| 10 |
+
from sympy.core.singleton import S
|
| 11 |
+
from sympy.core.sympify import sympify
|
| 12 |
+
|
| 13 |
+
from sympy.physics.quantum.anticommutator import AntiCommutator
|
| 14 |
+
from sympy.physics.quantum.commutator import Commutator
|
| 15 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 16 |
+
from sympy.physics.quantum.innerproduct import InnerProduct
|
| 17 |
+
from sympy.physics.quantum.operator import OuterProduct, Operator
|
| 18 |
+
from sympy.physics.quantum.state import State, KetBase, BraBase, Wavefunction
|
| 19 |
+
from sympy.physics.quantum.tensorproduct import TensorProduct
|
| 20 |
+
|
| 21 |
+
__all__ = [
|
| 22 |
+
'qapply'
|
| 23 |
+
]
|
| 24 |
+
|
| 25 |
+
|
| 26 |
+
#-----------------------------------------------------------------------------
|
| 27 |
+
# Main code
|
| 28 |
+
#-----------------------------------------------------------------------------
|
| 29 |
+
|
| 30 |
+
def qapply(e, **options):
|
| 31 |
+
"""Apply operators to states in a quantum expression.
|
| 32 |
+
|
| 33 |
+
Parameters
|
| 34 |
+
==========
|
| 35 |
+
|
| 36 |
+
e : Expr
|
| 37 |
+
The expression containing operators and states. This expression tree
|
| 38 |
+
will be walked to find operators acting on states symbolically.
|
| 39 |
+
options : dict
|
| 40 |
+
A dict of key/value pairs that determine how the operator actions
|
| 41 |
+
are carried out.
|
| 42 |
+
|
| 43 |
+
The following options are valid:
|
| 44 |
+
|
| 45 |
+
* ``dagger``: try to apply Dagger operators to the left
|
| 46 |
+
(default: False).
|
| 47 |
+
* ``ip_doit``: call ``.doit()`` in inner products when they are
|
| 48 |
+
encountered (default: True).
|
| 49 |
+
|
| 50 |
+
Returns
|
| 51 |
+
=======
|
| 52 |
+
|
| 53 |
+
e : Expr
|
| 54 |
+
The original expression, but with the operators applied to states.
|
| 55 |
+
|
| 56 |
+
Examples
|
| 57 |
+
========
|
| 58 |
+
|
| 59 |
+
>>> from sympy.physics.quantum import qapply, Ket, Bra
|
| 60 |
+
>>> b = Bra('b')
|
| 61 |
+
>>> k = Ket('k')
|
| 62 |
+
>>> A = k * b
|
| 63 |
+
>>> A
|
| 64 |
+
|k><b|
|
| 65 |
+
>>> qapply(A * b.dual / (b * b.dual))
|
| 66 |
+
|k>
|
| 67 |
+
>>> qapply(k.dual * A / (k.dual * k), dagger=True)
|
| 68 |
+
<b|
|
| 69 |
+
>>> qapply(k.dual * A / (k.dual * k))
|
| 70 |
+
<k|*|k><b|/<k|k>
|
| 71 |
+
"""
|
| 72 |
+
from sympy.physics.quantum.density import Density
|
| 73 |
+
|
| 74 |
+
dagger = options.get('dagger', False)
|
| 75 |
+
|
| 76 |
+
if e == 0:
|
| 77 |
+
return S.Zero
|
| 78 |
+
|
| 79 |
+
# This may be a bit aggressive but ensures that everything gets expanded
|
| 80 |
+
# to its simplest form before trying to apply operators. This includes
|
| 81 |
+
# things like (A+B+C)*|a> and A*(|a>+|b>) and all Commutators and
|
| 82 |
+
# TensorProducts. The only problem with this is that if we can't apply
|
| 83 |
+
# all the Operators, we have just expanded everything.
|
| 84 |
+
# TODO: don't expand the scalars in front of each Mul.
|
| 85 |
+
e = e.expand(commutator=True, tensorproduct=True)
|
| 86 |
+
|
| 87 |
+
# If we just have a raw ket, return it.
|
| 88 |
+
if isinstance(e, KetBase):
|
| 89 |
+
return e
|
| 90 |
+
|
| 91 |
+
# We have an Add(a, b, c, ...) and compute
|
| 92 |
+
# Add(qapply(a), qapply(b), ...)
|
| 93 |
+
elif isinstance(e, Add):
|
| 94 |
+
result = 0
|
| 95 |
+
for arg in e.args:
|
| 96 |
+
result += qapply(arg, **options)
|
| 97 |
+
return result.expand()
|
| 98 |
+
|
| 99 |
+
# For a Density operator call qapply on its state
|
| 100 |
+
elif isinstance(e, Density):
|
| 101 |
+
new_args = [(qapply(state, **options), prob) for (state,
|
| 102 |
+
prob) in e.args]
|
| 103 |
+
return Density(*new_args)
|
| 104 |
+
|
| 105 |
+
# For a raw TensorProduct, call qapply on its args.
|
| 106 |
+
elif isinstance(e, TensorProduct):
|
| 107 |
+
return TensorProduct(*[qapply(t, **options) for t in e.args])
|
| 108 |
+
|
| 109 |
+
# For a Pow, call qapply on its base.
|
| 110 |
+
elif isinstance(e, Pow):
|
| 111 |
+
return qapply(e.base, **options)**e.exp
|
| 112 |
+
|
| 113 |
+
# We have a Mul where there might be actual operators to apply to kets.
|
| 114 |
+
elif isinstance(e, Mul):
|
| 115 |
+
c_part, nc_part = e.args_cnc()
|
| 116 |
+
c_mul = Mul(*c_part)
|
| 117 |
+
nc_mul = Mul(*nc_part)
|
| 118 |
+
if isinstance(nc_mul, Mul):
|
| 119 |
+
result = c_mul*qapply_Mul(nc_mul, **options)
|
| 120 |
+
else:
|
| 121 |
+
result = c_mul*qapply(nc_mul, **options)
|
| 122 |
+
if result == e and dagger:
|
| 123 |
+
return Dagger(qapply_Mul(Dagger(e), **options))
|
| 124 |
+
else:
|
| 125 |
+
return result
|
| 126 |
+
|
| 127 |
+
# In all other cases (State, Operator, Pow, Commutator, InnerProduct,
|
| 128 |
+
# OuterProduct) we won't ever have operators to apply to kets.
|
| 129 |
+
else:
|
| 130 |
+
return e
|
| 131 |
+
|
| 132 |
+
|
| 133 |
+
def qapply_Mul(e, **options):
|
| 134 |
+
|
| 135 |
+
ip_doit = options.get('ip_doit', True)
|
| 136 |
+
|
| 137 |
+
args = list(e.args)
|
| 138 |
+
|
| 139 |
+
# If we only have 0 or 1 args, we have nothing to do and return.
|
| 140 |
+
if len(args) <= 1 or not isinstance(e, Mul):
|
| 141 |
+
return e
|
| 142 |
+
rhs = args.pop()
|
| 143 |
+
lhs = args.pop()
|
| 144 |
+
|
| 145 |
+
# Make sure we have two non-commutative objects before proceeding.
|
| 146 |
+
if (not isinstance(rhs, Wavefunction) and sympify(rhs).is_commutative) or \
|
| 147 |
+
(not isinstance(lhs, Wavefunction) and sympify(lhs).is_commutative):
|
| 148 |
+
return e
|
| 149 |
+
|
| 150 |
+
# For a Pow with an integer exponent, apply one of them and reduce the
|
| 151 |
+
# exponent by one.
|
| 152 |
+
if isinstance(lhs, Pow) and lhs.exp.is_Integer:
|
| 153 |
+
args.append(lhs.base**(lhs.exp - 1))
|
| 154 |
+
lhs = lhs.base
|
| 155 |
+
|
| 156 |
+
# Pull OuterProduct apart
|
| 157 |
+
if isinstance(lhs, OuterProduct):
|
| 158 |
+
args.append(lhs.ket)
|
| 159 |
+
lhs = lhs.bra
|
| 160 |
+
|
| 161 |
+
# Call .doit() on Commutator/AntiCommutator.
|
| 162 |
+
if isinstance(lhs, (Commutator, AntiCommutator)):
|
| 163 |
+
comm = lhs.doit()
|
| 164 |
+
if isinstance(comm, Add):
|
| 165 |
+
return qapply(
|
| 166 |
+
e.func(*(args + [comm.args[0], rhs])) +
|
| 167 |
+
e.func(*(args + [comm.args[1], rhs])),
|
| 168 |
+
**options
|
| 169 |
+
)
|
| 170 |
+
else:
|
| 171 |
+
return qapply(e.func(*args)*comm*rhs, **options)
|
| 172 |
+
|
| 173 |
+
# Apply tensor products of operators to states
|
| 174 |
+
if isinstance(lhs, TensorProduct) and all(isinstance(arg, (Operator, State, Mul, Pow)) or arg == 1 for arg in lhs.args) and \
|
| 175 |
+
isinstance(rhs, TensorProduct) and all(isinstance(arg, (Operator, State, Mul, Pow)) or arg == 1 for arg in rhs.args) and \
|
| 176 |
+
len(lhs.args) == len(rhs.args):
|
| 177 |
+
result = TensorProduct(*[qapply(lhs.args[n]*rhs.args[n], **options) for n in range(len(lhs.args))]).expand(tensorproduct=True)
|
| 178 |
+
return qapply_Mul(e.func(*args), **options)*result
|
| 179 |
+
|
| 180 |
+
# Now try to actually apply the operator and build an inner product.
|
| 181 |
+
try:
|
| 182 |
+
result = lhs._apply_operator(rhs, **options)
|
| 183 |
+
except NotImplementedError:
|
| 184 |
+
result = None
|
| 185 |
+
|
| 186 |
+
if result is None:
|
| 187 |
+
_apply_right = getattr(rhs, '_apply_from_right_to', None)
|
| 188 |
+
if _apply_right is not None:
|
| 189 |
+
try:
|
| 190 |
+
result = _apply_right(lhs, **options)
|
| 191 |
+
except NotImplementedError:
|
| 192 |
+
result = None
|
| 193 |
+
|
| 194 |
+
if result is None:
|
| 195 |
+
if isinstance(lhs, BraBase) and isinstance(rhs, KetBase):
|
| 196 |
+
result = InnerProduct(lhs, rhs)
|
| 197 |
+
if ip_doit:
|
| 198 |
+
result = result.doit()
|
| 199 |
+
|
| 200 |
+
# TODO: I may need to expand before returning the final result.
|
| 201 |
+
if result == 0:
|
| 202 |
+
return S.Zero
|
| 203 |
+
elif result is None:
|
| 204 |
+
if len(args) == 0:
|
| 205 |
+
# We had two args to begin with so args=[].
|
| 206 |
+
return e
|
| 207 |
+
else:
|
| 208 |
+
return qapply_Mul(e.func(*(args + [lhs])), **options)*rhs
|
| 209 |
+
elif isinstance(result, InnerProduct):
|
| 210 |
+
return result*qapply_Mul(e.func(*args), **options)
|
| 211 |
+
else: # result is a scalar times a Mul, Add or TensorProduct
|
| 212 |
+
return qapply(e.func(*args)*result, **options)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/qexpr.py
ADDED
|
@@ -0,0 +1,413 @@
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
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|
|
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|
|
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|
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|
| 1 |
+
from sympy.core.expr import Expr
|
| 2 |
+
from sympy.core.symbol import Symbol
|
| 3 |
+
from sympy.core.sympify import sympify
|
| 4 |
+
from sympy.matrices.dense import Matrix
|
| 5 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 6 |
+
from sympy.core.containers import Tuple
|
| 7 |
+
from sympy.utilities.iterables import is_sequence
|
| 8 |
+
|
| 9 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 10 |
+
from sympy.physics.quantum.matrixutils import (
|
| 11 |
+
numpy_ndarray, scipy_sparse_matrix,
|
| 12 |
+
to_sympy, to_numpy, to_scipy_sparse
|
| 13 |
+
)
|
| 14 |
+
|
| 15 |
+
__all__ = [
|
| 16 |
+
'QuantumError',
|
| 17 |
+
'QExpr'
|
| 18 |
+
]
|
| 19 |
+
|
| 20 |
+
|
| 21 |
+
#-----------------------------------------------------------------------------
|
| 22 |
+
# Error handling
|
| 23 |
+
#-----------------------------------------------------------------------------
|
| 24 |
+
|
| 25 |
+
class QuantumError(Exception):
|
| 26 |
+
pass
|
| 27 |
+
|
| 28 |
+
|
| 29 |
+
def _qsympify_sequence(seq):
|
| 30 |
+
"""Convert elements of a sequence to standard form.
|
| 31 |
+
|
| 32 |
+
This is like sympify, but it performs special logic for arguments passed
|
| 33 |
+
to QExpr. The following conversions are done:
|
| 34 |
+
|
| 35 |
+
* (list, tuple, Tuple) => _qsympify_sequence each element and convert
|
| 36 |
+
sequence to a Tuple.
|
| 37 |
+
* basestring => Symbol
|
| 38 |
+
* Matrix => Matrix
|
| 39 |
+
* other => sympify
|
| 40 |
+
|
| 41 |
+
Strings are passed to Symbol, not sympify to make sure that variables like
|
| 42 |
+
'pi' are kept as Symbols, not the SymPy built-in number subclasses.
|
| 43 |
+
|
| 44 |
+
Examples
|
| 45 |
+
========
|
| 46 |
+
|
| 47 |
+
>>> from sympy.physics.quantum.qexpr import _qsympify_sequence
|
| 48 |
+
>>> _qsympify_sequence((1,2,[3,4,[1,]]))
|
| 49 |
+
(1, 2, (3, 4, (1,)))
|
| 50 |
+
|
| 51 |
+
"""
|
| 52 |
+
|
| 53 |
+
return tuple(__qsympify_sequence_helper(seq))
|
| 54 |
+
|
| 55 |
+
|
| 56 |
+
def __qsympify_sequence_helper(seq):
|
| 57 |
+
"""
|
| 58 |
+
Helper function for _qsympify_sequence
|
| 59 |
+
This function does the actual work.
|
| 60 |
+
"""
|
| 61 |
+
#base case. If not a list, do Sympification
|
| 62 |
+
if not is_sequence(seq):
|
| 63 |
+
if isinstance(seq, Matrix):
|
| 64 |
+
return seq
|
| 65 |
+
elif isinstance(seq, str):
|
| 66 |
+
return Symbol(seq)
|
| 67 |
+
else:
|
| 68 |
+
return sympify(seq)
|
| 69 |
+
|
| 70 |
+
# base condition, when seq is QExpr and also
|
| 71 |
+
# is iterable.
|
| 72 |
+
if isinstance(seq, QExpr):
|
| 73 |
+
return seq
|
| 74 |
+
|
| 75 |
+
#if list, recurse on each item in the list
|
| 76 |
+
result = [__qsympify_sequence_helper(item) for item in seq]
|
| 77 |
+
|
| 78 |
+
return Tuple(*result)
|
| 79 |
+
|
| 80 |
+
|
| 81 |
+
#-----------------------------------------------------------------------------
|
| 82 |
+
# Basic Quantum Expression from which all objects descend
|
| 83 |
+
#-----------------------------------------------------------------------------
|
| 84 |
+
|
| 85 |
+
class QExpr(Expr):
|
| 86 |
+
"""A base class for all quantum object like operators and states."""
|
| 87 |
+
|
| 88 |
+
# In sympy, slots are for instance attributes that are computed
|
| 89 |
+
# dynamically by the __new__ method. They are not part of args, but they
|
| 90 |
+
# derive from args.
|
| 91 |
+
|
| 92 |
+
# The Hilbert space a quantum Object belongs to.
|
| 93 |
+
__slots__ = ('hilbert_space', )
|
| 94 |
+
|
| 95 |
+
is_commutative = False
|
| 96 |
+
|
| 97 |
+
# The separator used in printing the label.
|
| 98 |
+
_label_separator = ''
|
| 99 |
+
|
| 100 |
+
@property
|
| 101 |
+
def free_symbols(self):
|
| 102 |
+
return {self}
|
| 103 |
+
|
| 104 |
+
def __new__(cls, *args, **kwargs):
|
| 105 |
+
"""Construct a new quantum object.
|
| 106 |
+
|
| 107 |
+
Parameters
|
| 108 |
+
==========
|
| 109 |
+
|
| 110 |
+
args : tuple
|
| 111 |
+
The list of numbers or parameters that uniquely specify the
|
| 112 |
+
quantum object. For a state, this will be its symbol or its
|
| 113 |
+
set of quantum numbers.
|
| 114 |
+
|
| 115 |
+
Examples
|
| 116 |
+
========
|
| 117 |
+
|
| 118 |
+
>>> from sympy.physics.quantum.qexpr import QExpr
|
| 119 |
+
>>> q = QExpr(0)
|
| 120 |
+
>>> q
|
| 121 |
+
0
|
| 122 |
+
>>> q.label
|
| 123 |
+
(0,)
|
| 124 |
+
>>> q.hilbert_space
|
| 125 |
+
H
|
| 126 |
+
>>> q.args
|
| 127 |
+
(0,)
|
| 128 |
+
>>> q.is_commutative
|
| 129 |
+
False
|
| 130 |
+
"""
|
| 131 |
+
|
| 132 |
+
# First compute args and call Expr.__new__ to create the instance
|
| 133 |
+
args = cls._eval_args(args, **kwargs)
|
| 134 |
+
if len(args) == 0:
|
| 135 |
+
args = cls._eval_args(tuple(cls.default_args()), **kwargs)
|
| 136 |
+
inst = Expr.__new__(cls, *args)
|
| 137 |
+
# Now set the slots on the instance
|
| 138 |
+
inst.hilbert_space = cls._eval_hilbert_space(args)
|
| 139 |
+
return inst
|
| 140 |
+
|
| 141 |
+
@classmethod
|
| 142 |
+
def _new_rawargs(cls, hilbert_space, *args, **old_assumptions):
|
| 143 |
+
"""Create new instance of this class with hilbert_space and args.
|
| 144 |
+
|
| 145 |
+
This is used to bypass the more complex logic in the ``__new__``
|
| 146 |
+
method in cases where you already have the exact ``hilbert_space``
|
| 147 |
+
and ``args``. This should be used when you are positive these
|
| 148 |
+
arguments are valid, in their final, proper form and want to optimize
|
| 149 |
+
the creation of the object.
|
| 150 |
+
"""
|
| 151 |
+
|
| 152 |
+
obj = Expr.__new__(cls, *args, **old_assumptions)
|
| 153 |
+
obj.hilbert_space = hilbert_space
|
| 154 |
+
return obj
|
| 155 |
+
|
| 156 |
+
#-------------------------------------------------------------------------
|
| 157 |
+
# Properties
|
| 158 |
+
#-------------------------------------------------------------------------
|
| 159 |
+
|
| 160 |
+
@property
|
| 161 |
+
def label(self):
|
| 162 |
+
"""The label is the unique set of identifiers for the object.
|
| 163 |
+
|
| 164 |
+
Usually, this will include all of the information about the state
|
| 165 |
+
*except* the time (in the case of time-dependent objects).
|
| 166 |
+
|
| 167 |
+
This must be a tuple, rather than a Tuple.
|
| 168 |
+
"""
|
| 169 |
+
if len(self.args) == 0: # If there is no label specified, return the default
|
| 170 |
+
return self._eval_args(list(self.default_args()))
|
| 171 |
+
else:
|
| 172 |
+
return self.args
|
| 173 |
+
|
| 174 |
+
@property
|
| 175 |
+
def is_symbolic(self):
|
| 176 |
+
return True
|
| 177 |
+
|
| 178 |
+
@classmethod
|
| 179 |
+
def default_args(self):
|
| 180 |
+
"""If no arguments are specified, then this will return a default set
|
| 181 |
+
of arguments to be run through the constructor.
|
| 182 |
+
|
| 183 |
+
NOTE: Any classes that override this MUST return a tuple of arguments.
|
| 184 |
+
Should be overridden by subclasses to specify the default arguments for kets and operators
|
| 185 |
+
"""
|
| 186 |
+
raise NotImplementedError("No default arguments for this class!")
|
| 187 |
+
|
| 188 |
+
#-------------------------------------------------------------------------
|
| 189 |
+
# _eval_* methods
|
| 190 |
+
#-------------------------------------------------------------------------
|
| 191 |
+
|
| 192 |
+
def _eval_adjoint(self):
|
| 193 |
+
obj = Expr._eval_adjoint(self)
|
| 194 |
+
if obj is None:
|
| 195 |
+
obj = Expr.__new__(Dagger, self)
|
| 196 |
+
if isinstance(obj, QExpr):
|
| 197 |
+
obj.hilbert_space = self.hilbert_space
|
| 198 |
+
return obj
|
| 199 |
+
|
| 200 |
+
@classmethod
|
| 201 |
+
def _eval_args(cls, args):
|
| 202 |
+
"""Process the args passed to the __new__ method.
|
| 203 |
+
|
| 204 |
+
This simply runs args through _qsympify_sequence.
|
| 205 |
+
"""
|
| 206 |
+
return _qsympify_sequence(args)
|
| 207 |
+
|
| 208 |
+
@classmethod
|
| 209 |
+
def _eval_hilbert_space(cls, args):
|
| 210 |
+
"""Compute the Hilbert space instance from the args.
|
| 211 |
+
"""
|
| 212 |
+
from sympy.physics.quantum.hilbert import HilbertSpace
|
| 213 |
+
return HilbertSpace()
|
| 214 |
+
|
| 215 |
+
#-------------------------------------------------------------------------
|
| 216 |
+
# Printing
|
| 217 |
+
#-------------------------------------------------------------------------
|
| 218 |
+
|
| 219 |
+
# Utilities for printing: these operate on raw SymPy objects
|
| 220 |
+
|
| 221 |
+
def _print_sequence(self, seq, sep, printer, *args):
|
| 222 |
+
result = []
|
| 223 |
+
for item in seq:
|
| 224 |
+
result.append(printer._print(item, *args))
|
| 225 |
+
return sep.join(result)
|
| 226 |
+
|
| 227 |
+
def _print_sequence_pretty(self, seq, sep, printer, *args):
|
| 228 |
+
pform = printer._print(seq[0], *args)
|
| 229 |
+
for item in seq[1:]:
|
| 230 |
+
pform = prettyForm(*pform.right(sep))
|
| 231 |
+
pform = prettyForm(*pform.right(printer._print(item, *args)))
|
| 232 |
+
return pform
|
| 233 |
+
|
| 234 |
+
# Utilities for printing: these operate prettyForm objects
|
| 235 |
+
|
| 236 |
+
def _print_subscript_pretty(self, a, b):
|
| 237 |
+
top = prettyForm(*b.left(' '*a.width()))
|
| 238 |
+
bot = prettyForm(*a.right(' '*b.width()))
|
| 239 |
+
return prettyForm(binding=prettyForm.POW, *bot.below(top))
|
| 240 |
+
|
| 241 |
+
def _print_superscript_pretty(self, a, b):
|
| 242 |
+
return a**b
|
| 243 |
+
|
| 244 |
+
def _print_parens_pretty(self, pform, left='(', right=')'):
|
| 245 |
+
return prettyForm(*pform.parens(left=left, right=right))
|
| 246 |
+
|
| 247 |
+
# Printing of labels (i.e. args)
|
| 248 |
+
|
| 249 |
+
def _print_label(self, printer, *args):
|
| 250 |
+
"""Prints the label of the QExpr
|
| 251 |
+
|
| 252 |
+
This method prints self.label, using self._label_separator to separate
|
| 253 |
+
the elements. This method should not be overridden, instead, override
|
| 254 |
+
_print_contents to change printing behavior.
|
| 255 |
+
"""
|
| 256 |
+
return self._print_sequence(
|
| 257 |
+
self.label, self._label_separator, printer, *args
|
| 258 |
+
)
|
| 259 |
+
|
| 260 |
+
def _print_label_repr(self, printer, *args):
|
| 261 |
+
return self._print_sequence(
|
| 262 |
+
self.label, ',', printer, *args
|
| 263 |
+
)
|
| 264 |
+
|
| 265 |
+
def _print_label_pretty(self, printer, *args):
|
| 266 |
+
return self._print_sequence_pretty(
|
| 267 |
+
self.label, self._label_separator, printer, *args
|
| 268 |
+
)
|
| 269 |
+
|
| 270 |
+
def _print_label_latex(self, printer, *args):
|
| 271 |
+
return self._print_sequence(
|
| 272 |
+
self.label, self._label_separator, printer, *args
|
| 273 |
+
)
|
| 274 |
+
|
| 275 |
+
# Printing of contents (default to label)
|
| 276 |
+
|
| 277 |
+
def _print_contents(self, printer, *args):
|
| 278 |
+
"""Printer for contents of QExpr
|
| 279 |
+
|
| 280 |
+
Handles the printing of any unique identifying contents of a QExpr to
|
| 281 |
+
print as its contents, such as any variables or quantum numbers. The
|
| 282 |
+
default is to print the label, which is almost always the args. This
|
| 283 |
+
should not include printing of any brackets or parentheses.
|
| 284 |
+
"""
|
| 285 |
+
return self._print_label(printer, *args)
|
| 286 |
+
|
| 287 |
+
def _print_contents_pretty(self, printer, *args):
|
| 288 |
+
return self._print_label_pretty(printer, *args)
|
| 289 |
+
|
| 290 |
+
def _print_contents_latex(self, printer, *args):
|
| 291 |
+
return self._print_label_latex(printer, *args)
|
| 292 |
+
|
| 293 |
+
# Main printing methods
|
| 294 |
+
|
| 295 |
+
def _sympystr(self, printer, *args):
|
| 296 |
+
"""Default printing behavior of QExpr objects
|
| 297 |
+
|
| 298 |
+
Handles the default printing of a QExpr. To add other things to the
|
| 299 |
+
printing of the object, such as an operator name to operators or
|
| 300 |
+
brackets to states, the class should override the _print/_pretty/_latex
|
| 301 |
+
functions directly and make calls to _print_contents where appropriate.
|
| 302 |
+
This allows things like InnerProduct to easily control its printing the
|
| 303 |
+
printing of contents.
|
| 304 |
+
"""
|
| 305 |
+
return self._print_contents(printer, *args)
|
| 306 |
+
|
| 307 |
+
def _sympyrepr(self, printer, *args):
|
| 308 |
+
classname = self.__class__.__name__
|
| 309 |
+
label = self._print_label_repr(printer, *args)
|
| 310 |
+
return '%s(%s)' % (classname, label)
|
| 311 |
+
|
| 312 |
+
def _pretty(self, printer, *args):
|
| 313 |
+
pform = self._print_contents_pretty(printer, *args)
|
| 314 |
+
return pform
|
| 315 |
+
|
| 316 |
+
def _latex(self, printer, *args):
|
| 317 |
+
return self._print_contents_latex(printer, *args)
|
| 318 |
+
|
| 319 |
+
#-------------------------------------------------------------------------
|
| 320 |
+
# Represent
|
| 321 |
+
#-------------------------------------------------------------------------
|
| 322 |
+
|
| 323 |
+
def _represent_default_basis(self, **options):
|
| 324 |
+
raise NotImplementedError('This object does not have a default basis')
|
| 325 |
+
|
| 326 |
+
def _represent(self, *, basis=None, **options):
|
| 327 |
+
"""Represent this object in a given basis.
|
| 328 |
+
|
| 329 |
+
This method dispatches to the actual methods that perform the
|
| 330 |
+
representation. Subclases of QExpr should define various methods to
|
| 331 |
+
determine how the object will be represented in various bases. The
|
| 332 |
+
format of these methods is::
|
| 333 |
+
|
| 334 |
+
def _represent_BasisName(self, basis, **options):
|
| 335 |
+
|
| 336 |
+
Thus to define how a quantum object is represented in the basis of
|
| 337 |
+
the operator Position, you would define::
|
| 338 |
+
|
| 339 |
+
def _represent_Position(self, basis, **options):
|
| 340 |
+
|
| 341 |
+
Usually, basis object will be instances of Operator subclasses, but
|
| 342 |
+
there is a chance we will relax this in the future to accommodate other
|
| 343 |
+
types of basis sets that are not associated with an operator.
|
| 344 |
+
|
| 345 |
+
If the ``format`` option is given it can be ("sympy", "numpy",
|
| 346 |
+
"scipy.sparse"). This will ensure that any matrices that result from
|
| 347 |
+
representing the object are returned in the appropriate matrix format.
|
| 348 |
+
|
| 349 |
+
Parameters
|
| 350 |
+
==========
|
| 351 |
+
|
| 352 |
+
basis : Operator
|
| 353 |
+
The Operator whose basis functions will be used as the basis for
|
| 354 |
+
representation.
|
| 355 |
+
options : dict
|
| 356 |
+
A dictionary of key/value pairs that give options and hints for
|
| 357 |
+
the representation, such as the number of basis functions to
|
| 358 |
+
be used.
|
| 359 |
+
"""
|
| 360 |
+
if basis is None:
|
| 361 |
+
result = self._represent_default_basis(**options)
|
| 362 |
+
else:
|
| 363 |
+
result = dispatch_method(self, '_represent', basis, **options)
|
| 364 |
+
|
| 365 |
+
# If we get a matrix representation, convert it to the right format.
|
| 366 |
+
format = options.get('format', 'sympy')
|
| 367 |
+
result = self._format_represent(result, format)
|
| 368 |
+
return result
|
| 369 |
+
|
| 370 |
+
def _format_represent(self, result, format):
|
| 371 |
+
if format == 'sympy' and not isinstance(result, Matrix):
|
| 372 |
+
return to_sympy(result)
|
| 373 |
+
elif format == 'numpy' and not isinstance(result, numpy_ndarray):
|
| 374 |
+
return to_numpy(result)
|
| 375 |
+
elif format == 'scipy.sparse' and \
|
| 376 |
+
not isinstance(result, scipy_sparse_matrix):
|
| 377 |
+
return to_scipy_sparse(result)
|
| 378 |
+
|
| 379 |
+
return result
|
| 380 |
+
|
| 381 |
+
|
| 382 |
+
def split_commutative_parts(e):
|
| 383 |
+
"""Split into commutative and non-commutative parts."""
|
| 384 |
+
c_part, nc_part = e.args_cnc()
|
| 385 |
+
c_part = list(c_part)
|
| 386 |
+
return c_part, nc_part
|
| 387 |
+
|
| 388 |
+
|
| 389 |
+
def split_qexpr_parts(e):
|
| 390 |
+
"""Split an expression into Expr and noncommutative QExpr parts."""
|
| 391 |
+
expr_part = []
|
| 392 |
+
qexpr_part = []
|
| 393 |
+
for arg in e.args:
|
| 394 |
+
if not isinstance(arg, QExpr):
|
| 395 |
+
expr_part.append(arg)
|
| 396 |
+
else:
|
| 397 |
+
qexpr_part.append(arg)
|
| 398 |
+
return expr_part, qexpr_part
|
| 399 |
+
|
| 400 |
+
|
| 401 |
+
def dispatch_method(self, basename, arg, **options):
|
| 402 |
+
"""Dispatch a method to the proper handlers."""
|
| 403 |
+
method_name = '%s_%s' % (basename, arg.__class__.__name__)
|
| 404 |
+
if hasattr(self, method_name):
|
| 405 |
+
f = getattr(self, method_name)
|
| 406 |
+
# This can raise and we will allow it to propagate.
|
| 407 |
+
result = f(arg, **options)
|
| 408 |
+
if result is not None:
|
| 409 |
+
return result
|
| 410 |
+
raise NotImplementedError(
|
| 411 |
+
"%s.%s cannot handle: %r" %
|
| 412 |
+
(self.__class__.__name__, basename, arg)
|
| 413 |
+
)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/qubit.py
ADDED
|
@@ -0,0 +1,811 @@
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|
| 1 |
+
"""Qubits for quantum computing.
|
| 2 |
+
|
| 3 |
+
Todo:
|
| 4 |
+
* Finish implementing measurement logic. This should include POVM.
|
| 5 |
+
* Update docstrings.
|
| 6 |
+
* Update tests.
|
| 7 |
+
"""
|
| 8 |
+
|
| 9 |
+
|
| 10 |
+
import math
|
| 11 |
+
|
| 12 |
+
from sympy.core.add import Add
|
| 13 |
+
from sympy.core.mul import Mul
|
| 14 |
+
from sympy.core.numbers import Integer
|
| 15 |
+
from sympy.core.power import Pow
|
| 16 |
+
from sympy.core.singleton import S
|
| 17 |
+
from sympy.functions.elementary.complexes import conjugate
|
| 18 |
+
from sympy.functions.elementary.exponential import log
|
| 19 |
+
from sympy.core.basic import _sympify
|
| 20 |
+
from sympy.external.gmpy import SYMPY_INTS
|
| 21 |
+
from sympy.matrices import Matrix, zeros
|
| 22 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 23 |
+
|
| 24 |
+
from sympy.physics.quantum.hilbert import ComplexSpace
|
| 25 |
+
from sympy.physics.quantum.state import Ket, Bra, State
|
| 26 |
+
|
| 27 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 28 |
+
from sympy.physics.quantum.represent import represent
|
| 29 |
+
from sympy.physics.quantum.matrixutils import (
|
| 30 |
+
numpy_ndarray, scipy_sparse_matrix
|
| 31 |
+
)
|
| 32 |
+
from mpmath.libmp.libintmath import bitcount
|
| 33 |
+
|
| 34 |
+
__all__ = [
|
| 35 |
+
'Qubit',
|
| 36 |
+
'QubitBra',
|
| 37 |
+
'IntQubit',
|
| 38 |
+
'IntQubitBra',
|
| 39 |
+
'qubit_to_matrix',
|
| 40 |
+
'matrix_to_qubit',
|
| 41 |
+
'matrix_to_density',
|
| 42 |
+
'measure_all',
|
| 43 |
+
'measure_partial',
|
| 44 |
+
'measure_partial_oneshot',
|
| 45 |
+
'measure_all_oneshot'
|
| 46 |
+
]
|
| 47 |
+
|
| 48 |
+
#-----------------------------------------------------------------------------
|
| 49 |
+
# Qubit Classes
|
| 50 |
+
#-----------------------------------------------------------------------------
|
| 51 |
+
|
| 52 |
+
|
| 53 |
+
class QubitState(State):
|
| 54 |
+
"""Base class for Qubit and QubitBra."""
|
| 55 |
+
|
| 56 |
+
#-------------------------------------------------------------------------
|
| 57 |
+
# Initialization/creation
|
| 58 |
+
#-------------------------------------------------------------------------
|
| 59 |
+
|
| 60 |
+
@classmethod
|
| 61 |
+
def _eval_args(cls, args):
|
| 62 |
+
# If we are passed a QubitState or subclass, we just take its qubit
|
| 63 |
+
# values directly.
|
| 64 |
+
if len(args) == 1 and isinstance(args[0], QubitState):
|
| 65 |
+
return args[0].qubit_values
|
| 66 |
+
|
| 67 |
+
# Turn strings into tuple of strings
|
| 68 |
+
if len(args) == 1 and isinstance(args[0], str):
|
| 69 |
+
args = tuple( S.Zero if qb == "0" else S.One for qb in args[0])
|
| 70 |
+
else:
|
| 71 |
+
args = tuple( S.Zero if qb == "0" else S.One if qb == "1" else qb for qb in args)
|
| 72 |
+
args = tuple(_sympify(arg) for arg in args)
|
| 73 |
+
|
| 74 |
+
# Validate input (must have 0 or 1 input)
|
| 75 |
+
for element in args:
|
| 76 |
+
if element not in (S.Zero, S.One):
|
| 77 |
+
raise ValueError(
|
| 78 |
+
"Qubit values must be 0 or 1, got: %r" % element)
|
| 79 |
+
return args
|
| 80 |
+
|
| 81 |
+
@classmethod
|
| 82 |
+
def _eval_hilbert_space(cls, args):
|
| 83 |
+
return ComplexSpace(2)**len(args)
|
| 84 |
+
|
| 85 |
+
#-------------------------------------------------------------------------
|
| 86 |
+
# Properties
|
| 87 |
+
#-------------------------------------------------------------------------
|
| 88 |
+
|
| 89 |
+
@property
|
| 90 |
+
def dimension(self):
|
| 91 |
+
"""The number of Qubits in the state."""
|
| 92 |
+
return len(self.qubit_values)
|
| 93 |
+
|
| 94 |
+
@property
|
| 95 |
+
def nqubits(self):
|
| 96 |
+
return self.dimension
|
| 97 |
+
|
| 98 |
+
@property
|
| 99 |
+
def qubit_values(self):
|
| 100 |
+
"""Returns the values of the qubits as a tuple."""
|
| 101 |
+
return self.label
|
| 102 |
+
|
| 103 |
+
#-------------------------------------------------------------------------
|
| 104 |
+
# Special methods
|
| 105 |
+
#-------------------------------------------------------------------------
|
| 106 |
+
|
| 107 |
+
def __len__(self):
|
| 108 |
+
return self.dimension
|
| 109 |
+
|
| 110 |
+
def __getitem__(self, bit):
|
| 111 |
+
return self.qubit_values[int(self.dimension - bit - 1)]
|
| 112 |
+
|
| 113 |
+
#-------------------------------------------------------------------------
|
| 114 |
+
# Utility methods
|
| 115 |
+
#-------------------------------------------------------------------------
|
| 116 |
+
|
| 117 |
+
def flip(self, *bits):
|
| 118 |
+
"""Flip the bit(s) given."""
|
| 119 |
+
newargs = list(self.qubit_values)
|
| 120 |
+
for i in bits:
|
| 121 |
+
bit = int(self.dimension - i - 1)
|
| 122 |
+
if newargs[bit] == 1:
|
| 123 |
+
newargs[bit] = 0
|
| 124 |
+
else:
|
| 125 |
+
newargs[bit] = 1
|
| 126 |
+
return self.__class__(*tuple(newargs))
|
| 127 |
+
|
| 128 |
+
|
| 129 |
+
class Qubit(QubitState, Ket):
|
| 130 |
+
"""A multi-qubit ket in the computational (z) basis.
|
| 131 |
+
|
| 132 |
+
We use the normal convention that the least significant qubit is on the
|
| 133 |
+
right, so ``|00001>`` has a 1 in the least significant qubit.
|
| 134 |
+
|
| 135 |
+
Parameters
|
| 136 |
+
==========
|
| 137 |
+
|
| 138 |
+
values : list, str
|
| 139 |
+
The qubit values as a list of ints ([0,0,0,1,1,]) or a string ('011').
|
| 140 |
+
|
| 141 |
+
Examples
|
| 142 |
+
========
|
| 143 |
+
|
| 144 |
+
Create a qubit in a couple of different ways and look at their attributes:
|
| 145 |
+
|
| 146 |
+
>>> from sympy.physics.quantum.qubit import Qubit
|
| 147 |
+
>>> Qubit(0,0,0)
|
| 148 |
+
|000>
|
| 149 |
+
>>> q = Qubit('0101')
|
| 150 |
+
>>> q
|
| 151 |
+
|0101>
|
| 152 |
+
|
| 153 |
+
>>> q.nqubits
|
| 154 |
+
4
|
| 155 |
+
>>> len(q)
|
| 156 |
+
4
|
| 157 |
+
>>> q.dimension
|
| 158 |
+
4
|
| 159 |
+
>>> q.qubit_values
|
| 160 |
+
(0, 1, 0, 1)
|
| 161 |
+
|
| 162 |
+
We can flip the value of an individual qubit:
|
| 163 |
+
|
| 164 |
+
>>> q.flip(1)
|
| 165 |
+
|0111>
|
| 166 |
+
|
| 167 |
+
We can take the dagger of a Qubit to get a bra:
|
| 168 |
+
|
| 169 |
+
>>> from sympy.physics.quantum.dagger import Dagger
|
| 170 |
+
>>> Dagger(q)
|
| 171 |
+
<0101|
|
| 172 |
+
>>> type(Dagger(q))
|
| 173 |
+
<class 'sympy.physics.quantum.qubit.QubitBra'>
|
| 174 |
+
|
| 175 |
+
Inner products work as expected:
|
| 176 |
+
|
| 177 |
+
>>> ip = Dagger(q)*q
|
| 178 |
+
>>> ip
|
| 179 |
+
<0101|0101>
|
| 180 |
+
>>> ip.doit()
|
| 181 |
+
1
|
| 182 |
+
"""
|
| 183 |
+
|
| 184 |
+
@classmethod
|
| 185 |
+
def dual_class(self):
|
| 186 |
+
return QubitBra
|
| 187 |
+
|
| 188 |
+
def _eval_innerproduct_QubitBra(self, bra, **hints):
|
| 189 |
+
if self.label == bra.label:
|
| 190 |
+
return S.One
|
| 191 |
+
else:
|
| 192 |
+
return S.Zero
|
| 193 |
+
|
| 194 |
+
def _represent_default_basis(self, **options):
|
| 195 |
+
return self._represent_ZGate(None, **options)
|
| 196 |
+
|
| 197 |
+
def _represent_ZGate(self, basis, **options):
|
| 198 |
+
"""Represent this qubits in the computational basis (ZGate).
|
| 199 |
+
"""
|
| 200 |
+
_format = options.get('format', 'sympy')
|
| 201 |
+
n = 1
|
| 202 |
+
definite_state = 0
|
| 203 |
+
for it in reversed(self.qubit_values):
|
| 204 |
+
definite_state += n*it
|
| 205 |
+
n = n*2
|
| 206 |
+
result = [0]*(2**self.dimension)
|
| 207 |
+
result[int(definite_state)] = 1
|
| 208 |
+
if _format == 'sympy':
|
| 209 |
+
return Matrix(result)
|
| 210 |
+
elif _format == 'numpy':
|
| 211 |
+
import numpy as np
|
| 212 |
+
return np.array(result, dtype='complex').transpose()
|
| 213 |
+
elif _format == 'scipy.sparse':
|
| 214 |
+
from scipy import sparse
|
| 215 |
+
return sparse.csr_matrix(result, dtype='complex').transpose()
|
| 216 |
+
|
| 217 |
+
def _eval_trace(self, bra, **kwargs):
|
| 218 |
+
indices = kwargs.get('indices', [])
|
| 219 |
+
|
| 220 |
+
#sort index list to begin trace from most-significant
|
| 221 |
+
#qubit
|
| 222 |
+
sorted_idx = list(indices)
|
| 223 |
+
if len(sorted_idx) == 0:
|
| 224 |
+
sorted_idx = list(range(0, self.nqubits))
|
| 225 |
+
sorted_idx.sort()
|
| 226 |
+
|
| 227 |
+
#trace out for each of index
|
| 228 |
+
new_mat = self*bra
|
| 229 |
+
for i in range(len(sorted_idx) - 1, -1, -1):
|
| 230 |
+
# start from tracing out from leftmost qubit
|
| 231 |
+
new_mat = self._reduced_density(new_mat, int(sorted_idx[i]))
|
| 232 |
+
|
| 233 |
+
if (len(sorted_idx) == self.nqubits):
|
| 234 |
+
#in case full trace was requested
|
| 235 |
+
return new_mat[0]
|
| 236 |
+
else:
|
| 237 |
+
return matrix_to_density(new_mat)
|
| 238 |
+
|
| 239 |
+
def _reduced_density(self, matrix, qubit, **options):
|
| 240 |
+
"""Compute the reduced density matrix by tracing out one qubit.
|
| 241 |
+
The qubit argument should be of type Python int, since it is used
|
| 242 |
+
in bit operations
|
| 243 |
+
"""
|
| 244 |
+
def find_index_that_is_projected(j, k, qubit):
|
| 245 |
+
bit_mask = 2**qubit - 1
|
| 246 |
+
return ((j >> qubit) << (1 + qubit)) + (j & bit_mask) + (k << qubit)
|
| 247 |
+
|
| 248 |
+
old_matrix = represent(matrix, **options)
|
| 249 |
+
old_size = old_matrix.cols
|
| 250 |
+
#we expect the old_size to be even
|
| 251 |
+
new_size = old_size//2
|
| 252 |
+
new_matrix = Matrix().zeros(new_size)
|
| 253 |
+
|
| 254 |
+
for i in range(new_size):
|
| 255 |
+
for j in range(new_size):
|
| 256 |
+
for k in range(2):
|
| 257 |
+
col = find_index_that_is_projected(j, k, qubit)
|
| 258 |
+
row = find_index_that_is_projected(i, k, qubit)
|
| 259 |
+
new_matrix[i, j] += old_matrix[row, col]
|
| 260 |
+
|
| 261 |
+
return new_matrix
|
| 262 |
+
|
| 263 |
+
|
| 264 |
+
class QubitBra(QubitState, Bra):
|
| 265 |
+
"""A multi-qubit bra in the computational (z) basis.
|
| 266 |
+
|
| 267 |
+
We use the normal convention that the least significant qubit is on the
|
| 268 |
+
right, so ``|00001>`` has a 1 in the least significant qubit.
|
| 269 |
+
|
| 270 |
+
Parameters
|
| 271 |
+
==========
|
| 272 |
+
|
| 273 |
+
values : list, str
|
| 274 |
+
The qubit values as a list of ints ([0,0,0,1,1,]) or a string ('011').
|
| 275 |
+
|
| 276 |
+
See also
|
| 277 |
+
========
|
| 278 |
+
|
| 279 |
+
Qubit: Examples using qubits
|
| 280 |
+
|
| 281 |
+
"""
|
| 282 |
+
@classmethod
|
| 283 |
+
def dual_class(self):
|
| 284 |
+
return Qubit
|
| 285 |
+
|
| 286 |
+
|
| 287 |
+
class IntQubitState(QubitState):
|
| 288 |
+
"""A base class for qubits that work with binary representations."""
|
| 289 |
+
|
| 290 |
+
@classmethod
|
| 291 |
+
def _eval_args(cls, args, nqubits=None):
|
| 292 |
+
# The case of a QubitState instance
|
| 293 |
+
if len(args) == 1 and isinstance(args[0], QubitState):
|
| 294 |
+
return QubitState._eval_args(args)
|
| 295 |
+
# otherwise, args should be integer
|
| 296 |
+
elif not all(isinstance(a, (int, Integer)) for a in args):
|
| 297 |
+
raise ValueError('values must be integers, got (%s)' % (tuple(type(a) for a in args),))
|
| 298 |
+
# use nqubits if specified
|
| 299 |
+
if nqubits is not None:
|
| 300 |
+
if not isinstance(nqubits, (int, Integer)):
|
| 301 |
+
raise ValueError('nqubits must be an integer, got (%s)' % type(nqubits))
|
| 302 |
+
if len(args) != 1:
|
| 303 |
+
raise ValueError(
|
| 304 |
+
'too many positional arguments (%s). should be (number, nqubits=n)' % (args,))
|
| 305 |
+
return cls._eval_args_with_nqubits(args[0], nqubits)
|
| 306 |
+
# For a single argument, we construct the binary representation of
|
| 307 |
+
# that integer with the minimal number of bits.
|
| 308 |
+
if len(args) == 1 and args[0] > 1:
|
| 309 |
+
#rvalues is the minimum number of bits needed to express the number
|
| 310 |
+
rvalues = reversed(range(bitcount(abs(args[0]))))
|
| 311 |
+
qubit_values = [(args[0] >> i) & 1 for i in rvalues]
|
| 312 |
+
return QubitState._eval_args(qubit_values)
|
| 313 |
+
# For two numbers, the second number is the number of bits
|
| 314 |
+
# on which it is expressed, so IntQubit(0,5) == |00000>.
|
| 315 |
+
elif len(args) == 2 and args[1] > 1:
|
| 316 |
+
return cls._eval_args_with_nqubits(args[0], args[1])
|
| 317 |
+
else:
|
| 318 |
+
return QubitState._eval_args(args)
|
| 319 |
+
|
| 320 |
+
@classmethod
|
| 321 |
+
def _eval_args_with_nqubits(cls, number, nqubits):
|
| 322 |
+
need = bitcount(abs(number))
|
| 323 |
+
if nqubits < need:
|
| 324 |
+
raise ValueError(
|
| 325 |
+
'cannot represent %s with %s bits' % (number, nqubits))
|
| 326 |
+
qubit_values = [(number >> i) & 1 for i in reversed(range(nqubits))]
|
| 327 |
+
return QubitState._eval_args(qubit_values)
|
| 328 |
+
|
| 329 |
+
def as_int(self):
|
| 330 |
+
"""Return the numerical value of the qubit."""
|
| 331 |
+
number = 0
|
| 332 |
+
n = 1
|
| 333 |
+
for i in reversed(self.qubit_values):
|
| 334 |
+
number += n*i
|
| 335 |
+
n = n << 1
|
| 336 |
+
return number
|
| 337 |
+
|
| 338 |
+
def _print_label(self, printer, *args):
|
| 339 |
+
return str(self.as_int())
|
| 340 |
+
|
| 341 |
+
def _print_label_pretty(self, printer, *args):
|
| 342 |
+
label = self._print_label(printer, *args)
|
| 343 |
+
return prettyForm(label)
|
| 344 |
+
|
| 345 |
+
_print_label_repr = _print_label
|
| 346 |
+
_print_label_latex = _print_label
|
| 347 |
+
|
| 348 |
+
|
| 349 |
+
class IntQubit(IntQubitState, Qubit):
|
| 350 |
+
"""A qubit ket that store integers as binary numbers in qubit values.
|
| 351 |
+
|
| 352 |
+
The differences between this class and ``Qubit`` are:
|
| 353 |
+
|
| 354 |
+
* The form of the constructor.
|
| 355 |
+
* The qubit values are printed as their corresponding integer, rather
|
| 356 |
+
than the raw qubit values. The internal storage format of the qubit
|
| 357 |
+
values in the same as ``Qubit``.
|
| 358 |
+
|
| 359 |
+
Parameters
|
| 360 |
+
==========
|
| 361 |
+
|
| 362 |
+
values : int, tuple
|
| 363 |
+
If a single argument, the integer we want to represent in the qubit
|
| 364 |
+
values. This integer will be represented using the fewest possible
|
| 365 |
+
number of qubits.
|
| 366 |
+
If a pair of integers and the second value is more than one, the first
|
| 367 |
+
integer gives the integer to represent in binary form and the second
|
| 368 |
+
integer gives the number of qubits to use.
|
| 369 |
+
List of zeros and ones is also accepted to generate qubit by bit pattern.
|
| 370 |
+
|
| 371 |
+
nqubits : int
|
| 372 |
+
The integer that represents the number of qubits.
|
| 373 |
+
This number should be passed with keyword ``nqubits=N``.
|
| 374 |
+
You can use this in order to avoid ambiguity of Qubit-style tuple of bits.
|
| 375 |
+
Please see the example below for more details.
|
| 376 |
+
|
| 377 |
+
Examples
|
| 378 |
+
========
|
| 379 |
+
|
| 380 |
+
Create a qubit for the integer 5:
|
| 381 |
+
|
| 382 |
+
>>> from sympy.physics.quantum.qubit import IntQubit
|
| 383 |
+
>>> from sympy.physics.quantum.qubit import Qubit
|
| 384 |
+
>>> q = IntQubit(5)
|
| 385 |
+
>>> q
|
| 386 |
+
|5>
|
| 387 |
+
|
| 388 |
+
We can also create an ``IntQubit`` by passing a ``Qubit`` instance.
|
| 389 |
+
|
| 390 |
+
>>> q = IntQubit(Qubit('101'))
|
| 391 |
+
>>> q
|
| 392 |
+
|5>
|
| 393 |
+
>>> q.as_int()
|
| 394 |
+
5
|
| 395 |
+
>>> q.nqubits
|
| 396 |
+
3
|
| 397 |
+
>>> q.qubit_values
|
| 398 |
+
(1, 0, 1)
|
| 399 |
+
|
| 400 |
+
We can go back to the regular qubit form.
|
| 401 |
+
|
| 402 |
+
>>> Qubit(q)
|
| 403 |
+
|101>
|
| 404 |
+
|
| 405 |
+
Please note that ``IntQubit`` also accepts a ``Qubit``-style list of bits.
|
| 406 |
+
So, the code below yields qubits 3, not a single bit ``1``.
|
| 407 |
+
|
| 408 |
+
>>> IntQubit(1, 1)
|
| 409 |
+
|3>
|
| 410 |
+
|
| 411 |
+
To avoid ambiguity, use ``nqubits`` parameter.
|
| 412 |
+
Use of this keyword is recommended especially when you provide the values by variables.
|
| 413 |
+
|
| 414 |
+
>>> IntQubit(1, nqubits=1)
|
| 415 |
+
|1>
|
| 416 |
+
>>> a = 1
|
| 417 |
+
>>> IntQubit(a, nqubits=1)
|
| 418 |
+
|1>
|
| 419 |
+
"""
|
| 420 |
+
@classmethod
|
| 421 |
+
def dual_class(self):
|
| 422 |
+
return IntQubitBra
|
| 423 |
+
|
| 424 |
+
def _eval_innerproduct_IntQubitBra(self, bra, **hints):
|
| 425 |
+
return Qubit._eval_innerproduct_QubitBra(self, bra)
|
| 426 |
+
|
| 427 |
+
class IntQubitBra(IntQubitState, QubitBra):
|
| 428 |
+
"""A qubit bra that store integers as binary numbers in qubit values."""
|
| 429 |
+
|
| 430 |
+
@classmethod
|
| 431 |
+
def dual_class(self):
|
| 432 |
+
return IntQubit
|
| 433 |
+
|
| 434 |
+
|
| 435 |
+
#-----------------------------------------------------------------------------
|
| 436 |
+
# Qubit <---> Matrix conversion functions
|
| 437 |
+
#-----------------------------------------------------------------------------
|
| 438 |
+
|
| 439 |
+
|
| 440 |
+
def matrix_to_qubit(matrix):
|
| 441 |
+
"""Convert from the matrix repr. to a sum of Qubit objects.
|
| 442 |
+
|
| 443 |
+
Parameters
|
| 444 |
+
----------
|
| 445 |
+
matrix : Matrix, numpy.matrix, scipy.sparse
|
| 446 |
+
The matrix to build the Qubit representation of. This works with
|
| 447 |
+
SymPy matrices, numpy matrices and scipy.sparse sparse matrices.
|
| 448 |
+
|
| 449 |
+
Examples
|
| 450 |
+
========
|
| 451 |
+
|
| 452 |
+
Represent a state and then go back to its qubit form:
|
| 453 |
+
|
| 454 |
+
>>> from sympy.physics.quantum.qubit import matrix_to_qubit, Qubit
|
| 455 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 456 |
+
>>> q = Qubit('01')
|
| 457 |
+
>>> matrix_to_qubit(represent(q))
|
| 458 |
+
|01>
|
| 459 |
+
"""
|
| 460 |
+
# Determine the format based on the type of the input matrix
|
| 461 |
+
format = 'sympy'
|
| 462 |
+
if isinstance(matrix, numpy_ndarray):
|
| 463 |
+
format = 'numpy'
|
| 464 |
+
if isinstance(matrix, scipy_sparse_matrix):
|
| 465 |
+
format = 'scipy.sparse'
|
| 466 |
+
|
| 467 |
+
# Make sure it is of correct dimensions for a Qubit-matrix representation.
|
| 468 |
+
# This logic should work with sympy, numpy or scipy.sparse matrices.
|
| 469 |
+
if matrix.shape[0] == 1:
|
| 470 |
+
mlistlen = matrix.shape[1]
|
| 471 |
+
nqubits = log(mlistlen, 2)
|
| 472 |
+
ket = False
|
| 473 |
+
cls = QubitBra
|
| 474 |
+
elif matrix.shape[1] == 1:
|
| 475 |
+
mlistlen = matrix.shape[0]
|
| 476 |
+
nqubits = log(mlistlen, 2)
|
| 477 |
+
ket = True
|
| 478 |
+
cls = Qubit
|
| 479 |
+
else:
|
| 480 |
+
raise QuantumError(
|
| 481 |
+
'Matrix must be a row/column vector, got %r' % matrix
|
| 482 |
+
)
|
| 483 |
+
if not isinstance(nqubits, Integer):
|
| 484 |
+
raise QuantumError('Matrix must be a row/column vector of size '
|
| 485 |
+
'2**nqubits, got: %r' % matrix)
|
| 486 |
+
# Go through each item in matrix, if element is non-zero, make it into a
|
| 487 |
+
# Qubit item times the element.
|
| 488 |
+
result = 0
|
| 489 |
+
for i in range(mlistlen):
|
| 490 |
+
if ket:
|
| 491 |
+
element = matrix[i, 0]
|
| 492 |
+
else:
|
| 493 |
+
element = matrix[0, i]
|
| 494 |
+
if format in ('numpy', 'scipy.sparse'):
|
| 495 |
+
element = complex(element)
|
| 496 |
+
if element != 0.0:
|
| 497 |
+
# Form Qubit array; 0 in bit-locations where i is 0, 1 in
|
| 498 |
+
# bit-locations where i is 1
|
| 499 |
+
qubit_array = [int(i & (1 << x) != 0) for x in range(nqubits)]
|
| 500 |
+
qubit_array.reverse()
|
| 501 |
+
result = result + element*cls(*qubit_array)
|
| 502 |
+
|
| 503 |
+
# If SymPy simplified by pulling out a constant coefficient, undo that.
|
| 504 |
+
if isinstance(result, (Mul, Add, Pow)):
|
| 505 |
+
result = result.expand()
|
| 506 |
+
|
| 507 |
+
return result
|
| 508 |
+
|
| 509 |
+
|
| 510 |
+
def matrix_to_density(mat):
|
| 511 |
+
"""
|
| 512 |
+
Works by finding the eigenvectors and eigenvalues of the matrix.
|
| 513 |
+
We know we can decompose rho by doing:
|
| 514 |
+
sum(EigenVal*|Eigenvect><Eigenvect|)
|
| 515 |
+
"""
|
| 516 |
+
from sympy.physics.quantum.density import Density
|
| 517 |
+
eigen = mat.eigenvects()
|
| 518 |
+
args = [[matrix_to_qubit(Matrix(
|
| 519 |
+
[vector, ])), x[0]] for x in eigen for vector in x[2] if x[0] != 0]
|
| 520 |
+
if (len(args) == 0):
|
| 521 |
+
return S.Zero
|
| 522 |
+
else:
|
| 523 |
+
return Density(*args)
|
| 524 |
+
|
| 525 |
+
|
| 526 |
+
def qubit_to_matrix(qubit, format='sympy'):
|
| 527 |
+
"""Converts an Add/Mul of Qubit objects into it's matrix representation
|
| 528 |
+
|
| 529 |
+
This function is the inverse of ``matrix_to_qubit`` and is a shorthand
|
| 530 |
+
for ``represent(qubit)``.
|
| 531 |
+
"""
|
| 532 |
+
return represent(qubit, format=format)
|
| 533 |
+
|
| 534 |
+
|
| 535 |
+
#-----------------------------------------------------------------------------
|
| 536 |
+
# Measurement
|
| 537 |
+
#-----------------------------------------------------------------------------
|
| 538 |
+
|
| 539 |
+
|
| 540 |
+
def measure_all(qubit, format='sympy', normalize=True):
|
| 541 |
+
"""Perform an ensemble measurement of all qubits.
|
| 542 |
+
|
| 543 |
+
Parameters
|
| 544 |
+
==========
|
| 545 |
+
|
| 546 |
+
qubit : Qubit, Add
|
| 547 |
+
The qubit to measure. This can be any Qubit or a linear combination
|
| 548 |
+
of them.
|
| 549 |
+
format : str
|
| 550 |
+
The format of the intermediate matrices to use. Possible values are
|
| 551 |
+
('sympy','numpy','scipy.sparse'). Currently only 'sympy' is
|
| 552 |
+
implemented.
|
| 553 |
+
|
| 554 |
+
Returns
|
| 555 |
+
=======
|
| 556 |
+
|
| 557 |
+
result : list
|
| 558 |
+
A list that consists of primitive states and their probabilities.
|
| 559 |
+
|
| 560 |
+
Examples
|
| 561 |
+
========
|
| 562 |
+
|
| 563 |
+
>>> from sympy.physics.quantum.qubit import Qubit, measure_all
|
| 564 |
+
>>> from sympy.physics.quantum.gate import H
|
| 565 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 566 |
+
|
| 567 |
+
>>> c = H(0)*H(1)*Qubit('00')
|
| 568 |
+
>>> c
|
| 569 |
+
H(0)*H(1)*|00>
|
| 570 |
+
>>> q = qapply(c)
|
| 571 |
+
>>> measure_all(q)
|
| 572 |
+
[(|00>, 1/4), (|01>, 1/4), (|10>, 1/4), (|11>, 1/4)]
|
| 573 |
+
"""
|
| 574 |
+
m = qubit_to_matrix(qubit, format)
|
| 575 |
+
|
| 576 |
+
if format == 'sympy':
|
| 577 |
+
results = []
|
| 578 |
+
|
| 579 |
+
if normalize:
|
| 580 |
+
m = m.normalized()
|
| 581 |
+
|
| 582 |
+
size = max(m.shape) # Max of shape to account for bra or ket
|
| 583 |
+
nqubits = int(math.log(size)/math.log(2))
|
| 584 |
+
for i in range(size):
|
| 585 |
+
if m[i] != 0.0:
|
| 586 |
+
results.append(
|
| 587 |
+
(Qubit(IntQubit(i, nqubits=nqubits)), m[i]*conjugate(m[i]))
|
| 588 |
+
)
|
| 589 |
+
return results
|
| 590 |
+
else:
|
| 591 |
+
raise NotImplementedError(
|
| 592 |
+
"This function cannot handle non-SymPy matrix formats yet"
|
| 593 |
+
)
|
| 594 |
+
|
| 595 |
+
|
| 596 |
+
def measure_partial(qubit, bits, format='sympy', normalize=True):
|
| 597 |
+
"""Perform a partial ensemble measure on the specified qubits.
|
| 598 |
+
|
| 599 |
+
Parameters
|
| 600 |
+
==========
|
| 601 |
+
|
| 602 |
+
qubits : Qubit
|
| 603 |
+
The qubit to measure. This can be any Qubit or a linear combination
|
| 604 |
+
of them.
|
| 605 |
+
bits : tuple
|
| 606 |
+
The qubits to measure.
|
| 607 |
+
format : str
|
| 608 |
+
The format of the intermediate matrices to use. Possible values are
|
| 609 |
+
('sympy','numpy','scipy.sparse'). Currently only 'sympy' is
|
| 610 |
+
implemented.
|
| 611 |
+
|
| 612 |
+
Returns
|
| 613 |
+
=======
|
| 614 |
+
|
| 615 |
+
result : list
|
| 616 |
+
A list that consists of primitive states and their probabilities.
|
| 617 |
+
|
| 618 |
+
Examples
|
| 619 |
+
========
|
| 620 |
+
|
| 621 |
+
>>> from sympy.physics.quantum.qubit import Qubit, measure_partial
|
| 622 |
+
>>> from sympy.physics.quantum.gate import H
|
| 623 |
+
>>> from sympy.physics.quantum.qapply import qapply
|
| 624 |
+
|
| 625 |
+
>>> c = H(0)*H(1)*Qubit('00')
|
| 626 |
+
>>> c
|
| 627 |
+
H(0)*H(1)*|00>
|
| 628 |
+
>>> q = qapply(c)
|
| 629 |
+
>>> measure_partial(q, (0,))
|
| 630 |
+
[(sqrt(2)*|00>/2 + sqrt(2)*|10>/2, 1/2), (sqrt(2)*|01>/2 + sqrt(2)*|11>/2, 1/2)]
|
| 631 |
+
"""
|
| 632 |
+
m = qubit_to_matrix(qubit, format)
|
| 633 |
+
|
| 634 |
+
if isinstance(bits, (SYMPY_INTS, Integer)):
|
| 635 |
+
bits = (int(bits),)
|
| 636 |
+
|
| 637 |
+
if format == 'sympy':
|
| 638 |
+
if normalize:
|
| 639 |
+
m = m.normalized()
|
| 640 |
+
|
| 641 |
+
possible_outcomes = _get_possible_outcomes(m, bits)
|
| 642 |
+
|
| 643 |
+
# Form output from function.
|
| 644 |
+
output = []
|
| 645 |
+
for outcome in possible_outcomes:
|
| 646 |
+
# Calculate probability of finding the specified bits with
|
| 647 |
+
# given values.
|
| 648 |
+
prob_of_outcome = 0
|
| 649 |
+
prob_of_outcome += (outcome.H*outcome)[0]
|
| 650 |
+
|
| 651 |
+
# If the output has a chance, append it to output with found
|
| 652 |
+
# probability.
|
| 653 |
+
if prob_of_outcome != 0:
|
| 654 |
+
if normalize:
|
| 655 |
+
next_matrix = matrix_to_qubit(outcome.normalized())
|
| 656 |
+
else:
|
| 657 |
+
next_matrix = matrix_to_qubit(outcome)
|
| 658 |
+
|
| 659 |
+
output.append((
|
| 660 |
+
next_matrix,
|
| 661 |
+
prob_of_outcome
|
| 662 |
+
))
|
| 663 |
+
|
| 664 |
+
return output
|
| 665 |
+
else:
|
| 666 |
+
raise NotImplementedError(
|
| 667 |
+
"This function cannot handle non-SymPy matrix formats yet"
|
| 668 |
+
)
|
| 669 |
+
|
| 670 |
+
|
| 671 |
+
def measure_partial_oneshot(qubit, bits, format='sympy'):
|
| 672 |
+
"""Perform a partial oneshot measurement on the specified qubits.
|
| 673 |
+
|
| 674 |
+
A oneshot measurement is equivalent to performing a measurement on a
|
| 675 |
+
quantum system. This type of measurement does not return the probabilities
|
| 676 |
+
like an ensemble measurement does, but rather returns *one* of the
|
| 677 |
+
possible resulting states. The exact state that is returned is determined
|
| 678 |
+
by picking a state randomly according to the ensemble probabilities.
|
| 679 |
+
|
| 680 |
+
Parameters
|
| 681 |
+
----------
|
| 682 |
+
qubits : Qubit
|
| 683 |
+
The qubit to measure. This can be any Qubit or a linear combination
|
| 684 |
+
of them.
|
| 685 |
+
bits : tuple
|
| 686 |
+
The qubits to measure.
|
| 687 |
+
format : str
|
| 688 |
+
The format of the intermediate matrices to use. Possible values are
|
| 689 |
+
('sympy','numpy','scipy.sparse'). Currently only 'sympy' is
|
| 690 |
+
implemented.
|
| 691 |
+
|
| 692 |
+
Returns
|
| 693 |
+
-------
|
| 694 |
+
result : Qubit
|
| 695 |
+
The qubit that the system collapsed to upon measurement.
|
| 696 |
+
"""
|
| 697 |
+
import random
|
| 698 |
+
m = qubit_to_matrix(qubit, format)
|
| 699 |
+
|
| 700 |
+
if format == 'sympy':
|
| 701 |
+
m = m.normalized()
|
| 702 |
+
possible_outcomes = _get_possible_outcomes(m, bits)
|
| 703 |
+
|
| 704 |
+
# Form output from function
|
| 705 |
+
random_number = random.random()
|
| 706 |
+
total_prob = 0
|
| 707 |
+
for outcome in possible_outcomes:
|
| 708 |
+
# Calculate probability of finding the specified bits
|
| 709 |
+
# with given values
|
| 710 |
+
total_prob += (outcome.H*outcome)[0]
|
| 711 |
+
if total_prob >= random_number:
|
| 712 |
+
return matrix_to_qubit(outcome.normalized())
|
| 713 |
+
else:
|
| 714 |
+
raise NotImplementedError(
|
| 715 |
+
"This function cannot handle non-SymPy matrix formats yet"
|
| 716 |
+
)
|
| 717 |
+
|
| 718 |
+
|
| 719 |
+
def _get_possible_outcomes(m, bits):
|
| 720 |
+
"""Get the possible states that can be produced in a measurement.
|
| 721 |
+
|
| 722 |
+
Parameters
|
| 723 |
+
----------
|
| 724 |
+
m : Matrix
|
| 725 |
+
The matrix representing the state of the system.
|
| 726 |
+
bits : tuple, list
|
| 727 |
+
Which bits will be measured.
|
| 728 |
+
|
| 729 |
+
Returns
|
| 730 |
+
-------
|
| 731 |
+
result : list
|
| 732 |
+
The list of possible states which can occur given this measurement.
|
| 733 |
+
These are un-normalized so we can derive the probability of finding
|
| 734 |
+
this state by taking the inner product with itself
|
| 735 |
+
"""
|
| 736 |
+
|
| 737 |
+
# This is filled with loads of dirty binary tricks...You have been warned
|
| 738 |
+
|
| 739 |
+
size = max(m.shape) # Max of shape to account for bra or ket
|
| 740 |
+
nqubits = int(math.log2(size) + .1) # Number of qubits possible
|
| 741 |
+
|
| 742 |
+
# Make the output states and put in output_matrices, nothing in them now.
|
| 743 |
+
# Each state will represent a possible outcome of the measurement
|
| 744 |
+
# Thus, output_matrices[0] is the matrix which we get when all measured
|
| 745 |
+
# bits return 0. and output_matrices[1] is the matrix for only the 0th
|
| 746 |
+
# bit being true
|
| 747 |
+
output_matrices = []
|
| 748 |
+
for i in range(1 << len(bits)):
|
| 749 |
+
output_matrices.append(zeros(2**nqubits, 1))
|
| 750 |
+
|
| 751 |
+
# Bitmasks will help sort how to determine possible outcomes.
|
| 752 |
+
# When the bit mask is and-ed with a matrix-index,
|
| 753 |
+
# it will determine which state that index belongs to
|
| 754 |
+
bit_masks = []
|
| 755 |
+
for bit in bits:
|
| 756 |
+
bit_masks.append(1 << bit)
|
| 757 |
+
|
| 758 |
+
# Make possible outcome states
|
| 759 |
+
for i in range(2**nqubits):
|
| 760 |
+
trueness = 0 # This tells us to which output_matrix this value belongs
|
| 761 |
+
# Find trueness
|
| 762 |
+
for j in range(len(bit_masks)):
|
| 763 |
+
if i & bit_masks[j]:
|
| 764 |
+
trueness += j + 1
|
| 765 |
+
# Put the value in the correct output matrix
|
| 766 |
+
output_matrices[trueness][i] = m[i]
|
| 767 |
+
return output_matrices
|
| 768 |
+
|
| 769 |
+
|
| 770 |
+
def measure_all_oneshot(qubit, format='sympy'):
|
| 771 |
+
"""Perform a oneshot ensemble measurement on all qubits.
|
| 772 |
+
|
| 773 |
+
A oneshot measurement is equivalent to performing a measurement on a
|
| 774 |
+
quantum system. This type of measurement does not return the probabilities
|
| 775 |
+
like an ensemble measurement does, but rather returns *one* of the
|
| 776 |
+
possible resulting states. The exact state that is returned is determined
|
| 777 |
+
by picking a state randomly according to the ensemble probabilities.
|
| 778 |
+
|
| 779 |
+
Parameters
|
| 780 |
+
----------
|
| 781 |
+
qubits : Qubit
|
| 782 |
+
The qubit to measure. This can be any Qubit or a linear combination
|
| 783 |
+
of them.
|
| 784 |
+
format : str
|
| 785 |
+
The format of the intermediate matrices to use. Possible values are
|
| 786 |
+
('sympy','numpy','scipy.sparse'). Currently only 'sympy' is
|
| 787 |
+
implemented.
|
| 788 |
+
|
| 789 |
+
Returns
|
| 790 |
+
-------
|
| 791 |
+
result : Qubit
|
| 792 |
+
The qubit that the system collapsed to upon measurement.
|
| 793 |
+
"""
|
| 794 |
+
import random
|
| 795 |
+
m = qubit_to_matrix(qubit)
|
| 796 |
+
|
| 797 |
+
if format == 'sympy':
|
| 798 |
+
m = m.normalized()
|
| 799 |
+
random_number = random.random()
|
| 800 |
+
total = 0
|
| 801 |
+
result = 0
|
| 802 |
+
for i in m:
|
| 803 |
+
total += i*i.conjugate()
|
| 804 |
+
if total > random_number:
|
| 805 |
+
break
|
| 806 |
+
result += 1
|
| 807 |
+
return Qubit(IntQubit(result, int(math.log2(max(m.shape)) + .1)))
|
| 808 |
+
else:
|
| 809 |
+
raise NotImplementedError(
|
| 810 |
+
"This function cannot handle non-SymPy matrix formats yet"
|
| 811 |
+
)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/represent.py
ADDED
|
@@ -0,0 +1,574 @@
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Logic for representing operators in state in various bases.
|
| 2 |
+
|
| 3 |
+
TODO:
|
| 4 |
+
|
| 5 |
+
* Get represent working with continuous hilbert spaces.
|
| 6 |
+
* Document default basis functionality.
|
| 7 |
+
"""
|
| 8 |
+
|
| 9 |
+
from sympy.core.add import Add
|
| 10 |
+
from sympy.core.expr import Expr
|
| 11 |
+
from sympy.core.mul import Mul
|
| 12 |
+
from sympy.core.numbers import I
|
| 13 |
+
from sympy.core.power import Pow
|
| 14 |
+
from sympy.integrals.integrals import integrate
|
| 15 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 16 |
+
from sympy.physics.quantum.commutator import Commutator
|
| 17 |
+
from sympy.physics.quantum.anticommutator import AntiCommutator
|
| 18 |
+
from sympy.physics.quantum.innerproduct import InnerProduct
|
| 19 |
+
from sympy.physics.quantum.qexpr import QExpr
|
| 20 |
+
from sympy.physics.quantum.tensorproduct import TensorProduct
|
| 21 |
+
from sympy.physics.quantum.matrixutils import flatten_scalar
|
| 22 |
+
from sympy.physics.quantum.state import KetBase, BraBase, StateBase
|
| 23 |
+
from sympy.physics.quantum.operator import Operator, OuterProduct
|
| 24 |
+
from sympy.physics.quantum.qapply import qapply
|
| 25 |
+
from sympy.physics.quantum.operatorset import operators_to_state, state_to_operators
|
| 26 |
+
|
| 27 |
+
__all__ = [
|
| 28 |
+
'represent',
|
| 29 |
+
'rep_innerproduct',
|
| 30 |
+
'rep_expectation',
|
| 31 |
+
'integrate_result',
|
| 32 |
+
'get_basis',
|
| 33 |
+
'enumerate_states'
|
| 34 |
+
]
|
| 35 |
+
|
| 36 |
+
#-----------------------------------------------------------------------------
|
| 37 |
+
# Represent
|
| 38 |
+
#-----------------------------------------------------------------------------
|
| 39 |
+
|
| 40 |
+
|
| 41 |
+
def _sympy_to_scalar(e):
|
| 42 |
+
"""Convert from a SymPy scalar to a Python scalar."""
|
| 43 |
+
if isinstance(e, Expr):
|
| 44 |
+
if e.is_Integer:
|
| 45 |
+
return int(e)
|
| 46 |
+
elif e.is_Float:
|
| 47 |
+
return float(e)
|
| 48 |
+
elif e.is_Rational:
|
| 49 |
+
return float(e)
|
| 50 |
+
elif e.is_Number or e.is_NumberSymbol or e == I:
|
| 51 |
+
return complex(e)
|
| 52 |
+
raise TypeError('Expected number, got: %r' % e)
|
| 53 |
+
|
| 54 |
+
|
| 55 |
+
def represent(expr, **options):
|
| 56 |
+
"""Represent the quantum expression in the given basis.
|
| 57 |
+
|
| 58 |
+
In quantum mechanics abstract states and operators can be represented in
|
| 59 |
+
various basis sets. Under this operation the follow transforms happen:
|
| 60 |
+
|
| 61 |
+
* Ket -> column vector or function
|
| 62 |
+
* Bra -> row vector of function
|
| 63 |
+
* Operator -> matrix or differential operator
|
| 64 |
+
|
| 65 |
+
This function is the top-level interface for this action.
|
| 66 |
+
|
| 67 |
+
This function walks the SymPy expression tree looking for ``QExpr``
|
| 68 |
+
instances that have a ``_represent`` method. This method is then called
|
| 69 |
+
and the object is replaced by the representation returned by this method.
|
| 70 |
+
By default, the ``_represent`` method will dispatch to other methods
|
| 71 |
+
that handle the representation logic for a particular basis set. The
|
| 72 |
+
naming convention for these methods is the following::
|
| 73 |
+
|
| 74 |
+
def _represent_FooBasis(self, e, basis, **options)
|
| 75 |
+
|
| 76 |
+
This function will have the logic for representing instances of its class
|
| 77 |
+
in the basis set having a class named ``FooBasis``.
|
| 78 |
+
|
| 79 |
+
Parameters
|
| 80 |
+
==========
|
| 81 |
+
|
| 82 |
+
expr : Expr
|
| 83 |
+
The expression to represent.
|
| 84 |
+
basis : Operator, basis set
|
| 85 |
+
An object that contains the information about the basis set. If an
|
| 86 |
+
operator is used, the basis is assumed to be the orthonormal
|
| 87 |
+
eigenvectors of that operator. In general though, the basis argument
|
| 88 |
+
can be any object that contains the basis set information.
|
| 89 |
+
options : dict
|
| 90 |
+
Key/value pairs of options that are passed to the underlying method
|
| 91 |
+
that finds the representation. These options can be used to
|
| 92 |
+
control how the representation is done. For example, this is where
|
| 93 |
+
the size of the basis set would be set.
|
| 94 |
+
|
| 95 |
+
Returns
|
| 96 |
+
=======
|
| 97 |
+
|
| 98 |
+
e : Expr
|
| 99 |
+
The SymPy expression of the represented quantum expression.
|
| 100 |
+
|
| 101 |
+
Examples
|
| 102 |
+
========
|
| 103 |
+
|
| 104 |
+
Here we subclass ``Operator`` and ``Ket`` to create the z-spin operator
|
| 105 |
+
and its spin 1/2 up eigenstate. By defining the ``_represent_SzOp``
|
| 106 |
+
method, the ket can be represented in the z-spin basis.
|
| 107 |
+
|
| 108 |
+
>>> from sympy.physics.quantum import Operator, represent, Ket
|
| 109 |
+
>>> from sympy import Matrix
|
| 110 |
+
|
| 111 |
+
>>> class SzUpKet(Ket):
|
| 112 |
+
... def _represent_SzOp(self, basis, **options):
|
| 113 |
+
... return Matrix([1,0])
|
| 114 |
+
...
|
| 115 |
+
>>> class SzOp(Operator):
|
| 116 |
+
... pass
|
| 117 |
+
...
|
| 118 |
+
>>> sz = SzOp('Sz')
|
| 119 |
+
>>> up = SzUpKet('up')
|
| 120 |
+
>>> represent(up, basis=sz)
|
| 121 |
+
Matrix([
|
| 122 |
+
[1],
|
| 123 |
+
[0]])
|
| 124 |
+
|
| 125 |
+
Here we see an example of representations in a continuous
|
| 126 |
+
basis. We see that the result of representing various combinations
|
| 127 |
+
of cartesian position operators and kets give us continuous
|
| 128 |
+
expressions involving DiracDelta functions.
|
| 129 |
+
|
| 130 |
+
>>> from sympy.physics.quantum.cartesian import XOp, XKet, XBra
|
| 131 |
+
>>> X = XOp()
|
| 132 |
+
>>> x = XKet()
|
| 133 |
+
>>> y = XBra('y')
|
| 134 |
+
>>> represent(X*x)
|
| 135 |
+
x*DiracDelta(x - x_2)
|
| 136 |
+
>>> represent(X*x*y)
|
| 137 |
+
x*DiracDelta(x - x_3)*DiracDelta(x_1 - y)
|
| 138 |
+
|
| 139 |
+
"""
|
| 140 |
+
|
| 141 |
+
format = options.get('format', 'sympy')
|
| 142 |
+
if format == 'numpy':
|
| 143 |
+
import numpy as np
|
| 144 |
+
if isinstance(expr, QExpr) and not isinstance(expr, OuterProduct):
|
| 145 |
+
options['replace_none'] = False
|
| 146 |
+
temp_basis = get_basis(expr, **options)
|
| 147 |
+
if temp_basis is not None:
|
| 148 |
+
options['basis'] = temp_basis
|
| 149 |
+
try:
|
| 150 |
+
return expr._represent(**options)
|
| 151 |
+
except NotImplementedError as strerr:
|
| 152 |
+
#If no _represent_FOO method exists, map to the
|
| 153 |
+
#appropriate basis state and try
|
| 154 |
+
#the other methods of representation
|
| 155 |
+
options['replace_none'] = True
|
| 156 |
+
|
| 157 |
+
if isinstance(expr, (KetBase, BraBase)):
|
| 158 |
+
try:
|
| 159 |
+
return rep_innerproduct(expr, **options)
|
| 160 |
+
except NotImplementedError:
|
| 161 |
+
raise NotImplementedError(strerr)
|
| 162 |
+
elif isinstance(expr, Operator):
|
| 163 |
+
try:
|
| 164 |
+
return rep_expectation(expr, **options)
|
| 165 |
+
except NotImplementedError:
|
| 166 |
+
raise NotImplementedError(strerr)
|
| 167 |
+
else:
|
| 168 |
+
raise NotImplementedError(strerr)
|
| 169 |
+
elif isinstance(expr, Add):
|
| 170 |
+
result = represent(expr.args[0], **options)
|
| 171 |
+
for args in expr.args[1:]:
|
| 172 |
+
# scipy.sparse doesn't support += so we use plain = here.
|
| 173 |
+
result = result + represent(args, **options)
|
| 174 |
+
return result
|
| 175 |
+
elif isinstance(expr, Pow):
|
| 176 |
+
base, exp = expr.as_base_exp()
|
| 177 |
+
if format in ('numpy', 'scipy.sparse'):
|
| 178 |
+
exp = _sympy_to_scalar(exp)
|
| 179 |
+
base = represent(base, **options)
|
| 180 |
+
# scipy.sparse doesn't support negative exponents
|
| 181 |
+
# and warns when inverting a matrix in csr format.
|
| 182 |
+
if format == 'scipy.sparse' and exp < 0:
|
| 183 |
+
from scipy.sparse.linalg import inv
|
| 184 |
+
exp = - exp
|
| 185 |
+
base = inv(base.tocsc()).tocsr()
|
| 186 |
+
if format == 'numpy':
|
| 187 |
+
return np.linalg.matrix_power(base, exp)
|
| 188 |
+
return base ** exp
|
| 189 |
+
elif isinstance(expr, TensorProduct):
|
| 190 |
+
new_args = [represent(arg, **options) for arg in expr.args]
|
| 191 |
+
return TensorProduct(*new_args)
|
| 192 |
+
elif isinstance(expr, Dagger):
|
| 193 |
+
return Dagger(represent(expr.args[0], **options))
|
| 194 |
+
elif isinstance(expr, Commutator):
|
| 195 |
+
A = expr.args[0]
|
| 196 |
+
B = expr.args[1]
|
| 197 |
+
return represent(Mul(A, B) - Mul(B, A), **options)
|
| 198 |
+
elif isinstance(expr, AntiCommutator):
|
| 199 |
+
A = expr.args[0]
|
| 200 |
+
B = expr.args[1]
|
| 201 |
+
return represent(Mul(A, B) + Mul(B, A), **options)
|
| 202 |
+
elif isinstance(expr, InnerProduct):
|
| 203 |
+
return represent(Mul(expr.bra, expr.ket), **options)
|
| 204 |
+
elif not isinstance(expr, (Mul, OuterProduct)):
|
| 205 |
+
# For numpy and scipy.sparse, we can only handle numerical prefactors.
|
| 206 |
+
if format in ('numpy', 'scipy.sparse'):
|
| 207 |
+
return _sympy_to_scalar(expr)
|
| 208 |
+
return expr
|
| 209 |
+
|
| 210 |
+
if not isinstance(expr, (Mul, OuterProduct)):
|
| 211 |
+
raise TypeError('Mul expected, got: %r' % expr)
|
| 212 |
+
|
| 213 |
+
if "index" in options:
|
| 214 |
+
options["index"] += 1
|
| 215 |
+
else:
|
| 216 |
+
options["index"] = 1
|
| 217 |
+
|
| 218 |
+
if "unities" not in options:
|
| 219 |
+
options["unities"] = []
|
| 220 |
+
|
| 221 |
+
result = represent(expr.args[-1], **options)
|
| 222 |
+
last_arg = expr.args[-1]
|
| 223 |
+
|
| 224 |
+
for arg in reversed(expr.args[:-1]):
|
| 225 |
+
if isinstance(last_arg, Operator):
|
| 226 |
+
options["index"] += 1
|
| 227 |
+
options["unities"].append(options["index"])
|
| 228 |
+
elif isinstance(last_arg, BraBase) and isinstance(arg, KetBase):
|
| 229 |
+
options["index"] += 1
|
| 230 |
+
elif isinstance(last_arg, KetBase) and isinstance(arg, Operator):
|
| 231 |
+
options["unities"].append(options["index"])
|
| 232 |
+
elif isinstance(last_arg, KetBase) and isinstance(arg, BraBase):
|
| 233 |
+
options["unities"].append(options["index"])
|
| 234 |
+
|
| 235 |
+
next_arg = represent(arg, **options)
|
| 236 |
+
if format == 'numpy' and isinstance(next_arg, np.ndarray):
|
| 237 |
+
# Must use np.matmult to "matrix multiply" two np.ndarray
|
| 238 |
+
result = np.matmul(next_arg, result)
|
| 239 |
+
else:
|
| 240 |
+
result = next_arg*result
|
| 241 |
+
last_arg = arg
|
| 242 |
+
|
| 243 |
+
# All three matrix formats create 1 by 1 matrices when inner products of
|
| 244 |
+
# vectors are taken. In these cases, we simply return a scalar.
|
| 245 |
+
result = flatten_scalar(result)
|
| 246 |
+
|
| 247 |
+
result = integrate_result(expr, result, **options)
|
| 248 |
+
|
| 249 |
+
return result
|
| 250 |
+
|
| 251 |
+
|
| 252 |
+
def rep_innerproduct(expr, **options):
|
| 253 |
+
"""
|
| 254 |
+
Returns an innerproduct like representation (e.g. ``<x'|x>``) for the
|
| 255 |
+
given state.
|
| 256 |
+
|
| 257 |
+
Attempts to calculate inner product with a bra from the specified
|
| 258 |
+
basis. Should only be passed an instance of KetBase or BraBase
|
| 259 |
+
|
| 260 |
+
Parameters
|
| 261 |
+
==========
|
| 262 |
+
|
| 263 |
+
expr : KetBase or BraBase
|
| 264 |
+
The expression to be represented
|
| 265 |
+
|
| 266 |
+
Examples
|
| 267 |
+
========
|
| 268 |
+
|
| 269 |
+
>>> from sympy.physics.quantum.represent import rep_innerproduct
|
| 270 |
+
>>> from sympy.physics.quantum.cartesian import XOp, XKet, PxOp, PxKet
|
| 271 |
+
>>> rep_innerproduct(XKet())
|
| 272 |
+
DiracDelta(x - x_1)
|
| 273 |
+
>>> rep_innerproduct(XKet(), basis=PxOp())
|
| 274 |
+
sqrt(2)*exp(-I*px_1*x/hbar)/(2*sqrt(hbar)*sqrt(pi))
|
| 275 |
+
>>> rep_innerproduct(PxKet(), basis=XOp())
|
| 276 |
+
sqrt(2)*exp(I*px*x_1/hbar)/(2*sqrt(hbar)*sqrt(pi))
|
| 277 |
+
|
| 278 |
+
"""
|
| 279 |
+
|
| 280 |
+
if not isinstance(expr, (KetBase, BraBase)):
|
| 281 |
+
raise TypeError("expr passed is not a Bra or Ket")
|
| 282 |
+
|
| 283 |
+
basis = get_basis(expr, **options)
|
| 284 |
+
|
| 285 |
+
if not isinstance(basis, StateBase):
|
| 286 |
+
raise NotImplementedError("Can't form this representation!")
|
| 287 |
+
|
| 288 |
+
if "index" not in options:
|
| 289 |
+
options["index"] = 1
|
| 290 |
+
|
| 291 |
+
basis_kets = enumerate_states(basis, options["index"], 2)
|
| 292 |
+
|
| 293 |
+
if isinstance(expr, BraBase):
|
| 294 |
+
bra = expr
|
| 295 |
+
ket = (basis_kets[1] if basis_kets[0].dual == expr else basis_kets[0])
|
| 296 |
+
else:
|
| 297 |
+
bra = (basis_kets[1].dual if basis_kets[0]
|
| 298 |
+
== expr else basis_kets[0].dual)
|
| 299 |
+
ket = expr
|
| 300 |
+
|
| 301 |
+
prod = InnerProduct(bra, ket)
|
| 302 |
+
result = prod.doit()
|
| 303 |
+
|
| 304 |
+
format = options.get('format', 'sympy')
|
| 305 |
+
return expr._format_represent(result, format)
|
| 306 |
+
|
| 307 |
+
|
| 308 |
+
def rep_expectation(expr, **options):
|
| 309 |
+
"""
|
| 310 |
+
Returns an ``<x'|A|x>`` type representation for the given operator.
|
| 311 |
+
|
| 312 |
+
Parameters
|
| 313 |
+
==========
|
| 314 |
+
|
| 315 |
+
expr : Operator
|
| 316 |
+
Operator to be represented in the specified basis
|
| 317 |
+
|
| 318 |
+
Examples
|
| 319 |
+
========
|
| 320 |
+
|
| 321 |
+
>>> from sympy.physics.quantum.cartesian import XOp, PxOp, PxKet
|
| 322 |
+
>>> from sympy.physics.quantum.represent import rep_expectation
|
| 323 |
+
>>> rep_expectation(XOp())
|
| 324 |
+
x_1*DiracDelta(x_1 - x_2)
|
| 325 |
+
>>> rep_expectation(XOp(), basis=PxOp())
|
| 326 |
+
<px_2|*X*|px_1>
|
| 327 |
+
>>> rep_expectation(XOp(), basis=PxKet())
|
| 328 |
+
<px_2|*X*|px_1>
|
| 329 |
+
|
| 330 |
+
"""
|
| 331 |
+
|
| 332 |
+
if "index" not in options:
|
| 333 |
+
options["index"] = 1
|
| 334 |
+
|
| 335 |
+
if not isinstance(expr, Operator):
|
| 336 |
+
raise TypeError("The passed expression is not an operator")
|
| 337 |
+
|
| 338 |
+
basis_state = get_basis(expr, **options)
|
| 339 |
+
|
| 340 |
+
if basis_state is None or not isinstance(basis_state, StateBase):
|
| 341 |
+
raise NotImplementedError("Could not get basis kets for this operator")
|
| 342 |
+
|
| 343 |
+
basis_kets = enumerate_states(basis_state, options["index"], 2)
|
| 344 |
+
|
| 345 |
+
bra = basis_kets[1].dual
|
| 346 |
+
ket = basis_kets[0]
|
| 347 |
+
|
| 348 |
+
return qapply(bra*expr*ket)
|
| 349 |
+
|
| 350 |
+
|
| 351 |
+
def integrate_result(orig_expr, result, **options):
|
| 352 |
+
"""
|
| 353 |
+
Returns the result of integrating over any unities ``(|x><x|)`` in
|
| 354 |
+
the given expression. Intended for integrating over the result of
|
| 355 |
+
representations in continuous bases.
|
| 356 |
+
|
| 357 |
+
This function integrates over any unities that may have been
|
| 358 |
+
inserted into the quantum expression and returns the result.
|
| 359 |
+
It uses the interval of the Hilbert space of the basis state
|
| 360 |
+
passed to it in order to figure out the limits of integration.
|
| 361 |
+
The unities option must be
|
| 362 |
+
specified for this to work.
|
| 363 |
+
|
| 364 |
+
Note: This is mostly used internally by represent(). Examples are
|
| 365 |
+
given merely to show the use cases.
|
| 366 |
+
|
| 367 |
+
Parameters
|
| 368 |
+
==========
|
| 369 |
+
|
| 370 |
+
orig_expr : quantum expression
|
| 371 |
+
The original expression which was to be represented
|
| 372 |
+
|
| 373 |
+
result: Expr
|
| 374 |
+
The resulting representation that we wish to integrate over
|
| 375 |
+
|
| 376 |
+
Examples
|
| 377 |
+
========
|
| 378 |
+
|
| 379 |
+
>>> from sympy import symbols, DiracDelta
|
| 380 |
+
>>> from sympy.physics.quantum.represent import integrate_result
|
| 381 |
+
>>> from sympy.physics.quantum.cartesian import XOp, XKet
|
| 382 |
+
>>> x_ket = XKet()
|
| 383 |
+
>>> X_op = XOp()
|
| 384 |
+
>>> x, x_1, x_2 = symbols('x, x_1, x_2')
|
| 385 |
+
>>> integrate_result(X_op*x_ket, x*DiracDelta(x-x_1)*DiracDelta(x_1-x_2))
|
| 386 |
+
x*DiracDelta(x - x_1)*DiracDelta(x_1 - x_2)
|
| 387 |
+
>>> integrate_result(X_op*x_ket, x*DiracDelta(x-x_1)*DiracDelta(x_1-x_2),
|
| 388 |
+
... unities=[1])
|
| 389 |
+
x*DiracDelta(x - x_2)
|
| 390 |
+
|
| 391 |
+
"""
|
| 392 |
+
if not isinstance(result, Expr):
|
| 393 |
+
return result
|
| 394 |
+
|
| 395 |
+
options['replace_none'] = True
|
| 396 |
+
if "basis" not in options:
|
| 397 |
+
arg = orig_expr.args[-1]
|
| 398 |
+
options["basis"] = get_basis(arg, **options)
|
| 399 |
+
elif not isinstance(options["basis"], StateBase):
|
| 400 |
+
options["basis"] = get_basis(orig_expr, **options)
|
| 401 |
+
|
| 402 |
+
basis = options.pop("basis", None)
|
| 403 |
+
|
| 404 |
+
if basis is None:
|
| 405 |
+
return result
|
| 406 |
+
|
| 407 |
+
unities = options.pop("unities", [])
|
| 408 |
+
|
| 409 |
+
if len(unities) == 0:
|
| 410 |
+
return result
|
| 411 |
+
|
| 412 |
+
kets = enumerate_states(basis, unities)
|
| 413 |
+
coords = [k.label[0] for k in kets]
|
| 414 |
+
|
| 415 |
+
for coord in coords:
|
| 416 |
+
if coord in result.free_symbols:
|
| 417 |
+
#TODO: Add support for sets of operators
|
| 418 |
+
basis_op = state_to_operators(basis)
|
| 419 |
+
start = basis_op.hilbert_space.interval.start
|
| 420 |
+
end = basis_op.hilbert_space.interval.end
|
| 421 |
+
result = integrate(result, (coord, start, end))
|
| 422 |
+
|
| 423 |
+
return result
|
| 424 |
+
|
| 425 |
+
|
| 426 |
+
def get_basis(expr, *, basis=None, replace_none=True, **options):
|
| 427 |
+
"""
|
| 428 |
+
Returns a basis state instance corresponding to the basis specified in
|
| 429 |
+
options=s. If no basis is specified, the function tries to form a default
|
| 430 |
+
basis state of the given expression.
|
| 431 |
+
|
| 432 |
+
There are three behaviors:
|
| 433 |
+
|
| 434 |
+
1. The basis specified in options is already an instance of StateBase. If
|
| 435 |
+
this is the case, it is simply returned. If the class is specified but
|
| 436 |
+
not an instance, a default instance is returned.
|
| 437 |
+
|
| 438 |
+
2. The basis specified is an operator or set of operators. If this
|
| 439 |
+
is the case, the operator_to_state mapping method is used.
|
| 440 |
+
|
| 441 |
+
3. No basis is specified. If expr is a state, then a default instance of
|
| 442 |
+
its class is returned. If expr is an operator, then it is mapped to the
|
| 443 |
+
corresponding state. If it is neither, then we cannot obtain the basis
|
| 444 |
+
state.
|
| 445 |
+
|
| 446 |
+
If the basis cannot be mapped, then it is not changed.
|
| 447 |
+
|
| 448 |
+
This will be called from within represent, and represent will
|
| 449 |
+
only pass QExpr's.
|
| 450 |
+
|
| 451 |
+
TODO (?): Support for Muls and other types of expressions?
|
| 452 |
+
|
| 453 |
+
Parameters
|
| 454 |
+
==========
|
| 455 |
+
|
| 456 |
+
expr : Operator or StateBase
|
| 457 |
+
Expression whose basis is sought
|
| 458 |
+
|
| 459 |
+
Examples
|
| 460 |
+
========
|
| 461 |
+
|
| 462 |
+
>>> from sympy.physics.quantum.represent import get_basis
|
| 463 |
+
>>> from sympy.physics.quantum.cartesian import XOp, XKet, PxOp, PxKet
|
| 464 |
+
>>> x = XKet()
|
| 465 |
+
>>> X = XOp()
|
| 466 |
+
>>> get_basis(x)
|
| 467 |
+
|x>
|
| 468 |
+
>>> get_basis(X)
|
| 469 |
+
|x>
|
| 470 |
+
>>> get_basis(x, basis=PxOp())
|
| 471 |
+
|px>
|
| 472 |
+
>>> get_basis(x, basis=PxKet)
|
| 473 |
+
|px>
|
| 474 |
+
|
| 475 |
+
"""
|
| 476 |
+
|
| 477 |
+
if basis is None and not replace_none:
|
| 478 |
+
return None
|
| 479 |
+
|
| 480 |
+
if basis is None:
|
| 481 |
+
if isinstance(expr, KetBase):
|
| 482 |
+
return _make_default(expr.__class__)
|
| 483 |
+
elif isinstance(expr, BraBase):
|
| 484 |
+
return _make_default(expr.dual_class())
|
| 485 |
+
elif isinstance(expr, Operator):
|
| 486 |
+
state_inst = operators_to_state(expr)
|
| 487 |
+
return (state_inst if state_inst is not None else None)
|
| 488 |
+
else:
|
| 489 |
+
return None
|
| 490 |
+
elif (isinstance(basis, Operator) or
|
| 491 |
+
(not isinstance(basis, StateBase) and issubclass(basis, Operator))):
|
| 492 |
+
state = operators_to_state(basis)
|
| 493 |
+
if state is None:
|
| 494 |
+
return None
|
| 495 |
+
elif isinstance(state, StateBase):
|
| 496 |
+
return state
|
| 497 |
+
else:
|
| 498 |
+
return _make_default(state)
|
| 499 |
+
elif isinstance(basis, StateBase):
|
| 500 |
+
return basis
|
| 501 |
+
elif issubclass(basis, StateBase):
|
| 502 |
+
return _make_default(basis)
|
| 503 |
+
else:
|
| 504 |
+
return None
|
| 505 |
+
|
| 506 |
+
|
| 507 |
+
def _make_default(expr):
|
| 508 |
+
# XXX: Catching TypeError like this is a bad way of distinguishing
|
| 509 |
+
# instances from classes. The logic using this function should be
|
| 510 |
+
# rewritten somehow.
|
| 511 |
+
try:
|
| 512 |
+
expr = expr()
|
| 513 |
+
except TypeError:
|
| 514 |
+
return expr
|
| 515 |
+
|
| 516 |
+
return expr
|
| 517 |
+
|
| 518 |
+
|
| 519 |
+
def enumerate_states(*args, **options):
|
| 520 |
+
"""
|
| 521 |
+
Returns instances of the given state with dummy indices appended
|
| 522 |
+
|
| 523 |
+
Operates in two different modes:
|
| 524 |
+
|
| 525 |
+
1. Two arguments are passed to it. The first is the base state which is to
|
| 526 |
+
be indexed, and the second argument is a list of indices to append.
|
| 527 |
+
|
| 528 |
+
2. Three arguments are passed. The first is again the base state to be
|
| 529 |
+
indexed. The second is the start index for counting. The final argument
|
| 530 |
+
is the number of kets you wish to receive.
|
| 531 |
+
|
| 532 |
+
Tries to call state._enumerate_state. If this fails, returns an empty list
|
| 533 |
+
|
| 534 |
+
Parameters
|
| 535 |
+
==========
|
| 536 |
+
|
| 537 |
+
args : list
|
| 538 |
+
See list of operation modes above for explanation
|
| 539 |
+
|
| 540 |
+
Examples
|
| 541 |
+
========
|
| 542 |
+
|
| 543 |
+
>>> from sympy.physics.quantum.cartesian import XBra, XKet
|
| 544 |
+
>>> from sympy.physics.quantum.represent import enumerate_states
|
| 545 |
+
>>> test = XKet('foo')
|
| 546 |
+
>>> enumerate_states(test, 1, 3)
|
| 547 |
+
[|foo_1>, |foo_2>, |foo_3>]
|
| 548 |
+
>>> test2 = XBra('bar')
|
| 549 |
+
>>> enumerate_states(test2, [4, 5, 10])
|
| 550 |
+
[<bar_4|, <bar_5|, <bar_10|]
|
| 551 |
+
|
| 552 |
+
"""
|
| 553 |
+
|
| 554 |
+
state = args[0]
|
| 555 |
+
|
| 556 |
+
if len(args) not in (2, 3):
|
| 557 |
+
raise NotImplementedError("Wrong number of arguments!")
|
| 558 |
+
|
| 559 |
+
if not isinstance(state, StateBase):
|
| 560 |
+
raise TypeError("First argument is not a state!")
|
| 561 |
+
|
| 562 |
+
if len(args) == 3:
|
| 563 |
+
num_states = args[2]
|
| 564 |
+
options['start_index'] = args[1]
|
| 565 |
+
else:
|
| 566 |
+
num_states = len(args[1])
|
| 567 |
+
options['index_list'] = args[1]
|
| 568 |
+
|
| 569 |
+
try:
|
| 570 |
+
ret = state._enumerate_state(num_states, **options)
|
| 571 |
+
except NotImplementedError:
|
| 572 |
+
ret = []
|
| 573 |
+
|
| 574 |
+
return ret
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/sho1d.py
ADDED
|
@@ -0,0 +1,679 @@
|
|
|
|
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|
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|
|
|
|
|
| 1 |
+
"""Simple Harmonic Oscillator 1-Dimension"""
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import (I, Integer)
|
| 4 |
+
from sympy.core.singleton import S
|
| 5 |
+
from sympy.core.symbol import Symbol
|
| 6 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 7 |
+
from sympy.physics.quantum.constants import hbar
|
| 8 |
+
from sympy.physics.quantum.operator import Operator
|
| 9 |
+
from sympy.physics.quantum.state import Bra, Ket, State
|
| 10 |
+
from sympy.physics.quantum.qexpr import QExpr
|
| 11 |
+
from sympy.physics.quantum.cartesian import X, Px
|
| 12 |
+
from sympy.functions.special.tensor_functions import KroneckerDelta
|
| 13 |
+
from sympy.physics.quantum.hilbert import ComplexSpace
|
| 14 |
+
from sympy.physics.quantum.matrixutils import matrix_zeros
|
| 15 |
+
|
| 16 |
+
#------------------------------------------------------------------------------
|
| 17 |
+
|
| 18 |
+
class SHOOp(Operator):
|
| 19 |
+
"""A base class for the SHO Operators.
|
| 20 |
+
|
| 21 |
+
We are limiting the number of arguments to be 1.
|
| 22 |
+
|
| 23 |
+
"""
|
| 24 |
+
|
| 25 |
+
@classmethod
|
| 26 |
+
def _eval_args(cls, args):
|
| 27 |
+
args = QExpr._eval_args(args)
|
| 28 |
+
if len(args) == 1:
|
| 29 |
+
return args
|
| 30 |
+
else:
|
| 31 |
+
raise ValueError("Too many arguments")
|
| 32 |
+
|
| 33 |
+
@classmethod
|
| 34 |
+
def _eval_hilbert_space(cls, label):
|
| 35 |
+
return ComplexSpace(S.Infinity)
|
| 36 |
+
|
| 37 |
+
class RaisingOp(SHOOp):
|
| 38 |
+
"""The Raising Operator or a^dagger.
|
| 39 |
+
|
| 40 |
+
When a^dagger acts on a state it raises the state up by one. Taking
|
| 41 |
+
the adjoint of a^dagger returns 'a', the Lowering Operator. a^dagger
|
| 42 |
+
can be rewritten in terms of position and momentum. We can represent
|
| 43 |
+
a^dagger as a matrix, which will be its default basis.
|
| 44 |
+
|
| 45 |
+
Parameters
|
| 46 |
+
==========
|
| 47 |
+
|
| 48 |
+
args : tuple
|
| 49 |
+
The list of numbers or parameters that uniquely specify the
|
| 50 |
+
operator.
|
| 51 |
+
|
| 52 |
+
Examples
|
| 53 |
+
========
|
| 54 |
+
|
| 55 |
+
Create a Raising Operator and rewrite it in terms of position and
|
| 56 |
+
momentum, and show that taking its adjoint returns 'a':
|
| 57 |
+
|
| 58 |
+
>>> from sympy.physics.quantum.sho1d import RaisingOp
|
| 59 |
+
>>> from sympy.physics.quantum import Dagger
|
| 60 |
+
|
| 61 |
+
>>> ad = RaisingOp('a')
|
| 62 |
+
>>> ad.rewrite('xp').doit()
|
| 63 |
+
sqrt(2)*(m*omega*X - I*Px)/(2*sqrt(hbar)*sqrt(m*omega))
|
| 64 |
+
|
| 65 |
+
>>> Dagger(ad)
|
| 66 |
+
a
|
| 67 |
+
|
| 68 |
+
Taking the commutator of a^dagger with other Operators:
|
| 69 |
+
|
| 70 |
+
>>> from sympy.physics.quantum import Commutator
|
| 71 |
+
>>> from sympy.physics.quantum.sho1d import RaisingOp, LoweringOp
|
| 72 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp
|
| 73 |
+
|
| 74 |
+
>>> ad = RaisingOp('a')
|
| 75 |
+
>>> a = LoweringOp('a')
|
| 76 |
+
>>> N = NumberOp('N')
|
| 77 |
+
>>> Commutator(ad, a).doit()
|
| 78 |
+
-1
|
| 79 |
+
>>> Commutator(ad, N).doit()
|
| 80 |
+
-RaisingOp(a)
|
| 81 |
+
|
| 82 |
+
Apply a^dagger to a state:
|
| 83 |
+
|
| 84 |
+
>>> from sympy.physics.quantum import qapply
|
| 85 |
+
>>> from sympy.physics.quantum.sho1d import RaisingOp, SHOKet
|
| 86 |
+
|
| 87 |
+
>>> ad = RaisingOp('a')
|
| 88 |
+
>>> k = SHOKet('k')
|
| 89 |
+
>>> qapply(ad*k)
|
| 90 |
+
sqrt(k + 1)*|k + 1>
|
| 91 |
+
|
| 92 |
+
Matrix Representation
|
| 93 |
+
|
| 94 |
+
>>> from sympy.physics.quantum.sho1d import RaisingOp
|
| 95 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 96 |
+
>>> ad = RaisingOp('a')
|
| 97 |
+
>>> represent(ad, basis=N, ndim=4, format='sympy')
|
| 98 |
+
Matrix([
|
| 99 |
+
[0, 0, 0, 0],
|
| 100 |
+
[1, 0, 0, 0],
|
| 101 |
+
[0, sqrt(2), 0, 0],
|
| 102 |
+
[0, 0, sqrt(3), 0]])
|
| 103 |
+
|
| 104 |
+
"""
|
| 105 |
+
|
| 106 |
+
def _eval_rewrite_as_xp(self, *args, **kwargs):
|
| 107 |
+
return (S.One/sqrt(Integer(2)*hbar*m*omega))*(
|
| 108 |
+
S.NegativeOne*I*Px + m*omega*X)
|
| 109 |
+
|
| 110 |
+
def _eval_adjoint(self):
|
| 111 |
+
return LoweringOp(*self.args)
|
| 112 |
+
|
| 113 |
+
def _eval_commutator_LoweringOp(self, other):
|
| 114 |
+
return S.NegativeOne
|
| 115 |
+
|
| 116 |
+
def _eval_commutator_NumberOp(self, other):
|
| 117 |
+
return S.NegativeOne*self
|
| 118 |
+
|
| 119 |
+
def _apply_operator_SHOKet(self, ket, **options):
|
| 120 |
+
temp = ket.n + S.One
|
| 121 |
+
return sqrt(temp)*SHOKet(temp)
|
| 122 |
+
|
| 123 |
+
def _represent_default_basis(self, **options):
|
| 124 |
+
return self._represent_NumberOp(None, **options)
|
| 125 |
+
|
| 126 |
+
def _represent_XOp(self, basis, **options):
|
| 127 |
+
# This logic is good but the underlying position
|
| 128 |
+
# representation logic is broken.
|
| 129 |
+
# temp = self.rewrite('xp').doit()
|
| 130 |
+
# result = represent(temp, basis=X)
|
| 131 |
+
# return result
|
| 132 |
+
raise NotImplementedError('Position representation is not implemented')
|
| 133 |
+
|
| 134 |
+
def _represent_NumberOp(self, basis, **options):
|
| 135 |
+
ndim_info = options.get('ndim', 4)
|
| 136 |
+
format = options.get('format','sympy')
|
| 137 |
+
matrix = matrix_zeros(ndim_info, ndim_info, **options)
|
| 138 |
+
for i in range(ndim_info - 1):
|
| 139 |
+
value = sqrt(i + 1)
|
| 140 |
+
if format == 'scipy.sparse':
|
| 141 |
+
value = float(value)
|
| 142 |
+
matrix[i + 1, i] = value
|
| 143 |
+
if format == 'scipy.sparse':
|
| 144 |
+
matrix = matrix.tocsr()
|
| 145 |
+
return matrix
|
| 146 |
+
|
| 147 |
+
#--------------------------------------------------------------------------
|
| 148 |
+
# Printing Methods
|
| 149 |
+
#--------------------------------------------------------------------------
|
| 150 |
+
|
| 151 |
+
def _print_contents(self, printer, *args):
|
| 152 |
+
arg0 = printer._print(self.args[0], *args)
|
| 153 |
+
return '%s(%s)' % (self.__class__.__name__, arg0)
|
| 154 |
+
|
| 155 |
+
def _print_contents_pretty(self, printer, *args):
|
| 156 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 157 |
+
pform = printer._print(self.args[0], *args)
|
| 158 |
+
pform = pform**prettyForm('\N{DAGGER}')
|
| 159 |
+
return pform
|
| 160 |
+
|
| 161 |
+
def _print_contents_latex(self, printer, *args):
|
| 162 |
+
arg = printer._print(self.args[0])
|
| 163 |
+
return '%s^{\\dagger}' % arg
|
| 164 |
+
|
| 165 |
+
class LoweringOp(SHOOp):
|
| 166 |
+
"""The Lowering Operator or 'a'.
|
| 167 |
+
|
| 168 |
+
When 'a' acts on a state it lowers the state up by one. Taking
|
| 169 |
+
the adjoint of 'a' returns a^dagger, the Raising Operator. 'a'
|
| 170 |
+
can be rewritten in terms of position and momentum. We can
|
| 171 |
+
represent 'a' as a matrix, which will be its default basis.
|
| 172 |
+
|
| 173 |
+
Parameters
|
| 174 |
+
==========
|
| 175 |
+
|
| 176 |
+
args : tuple
|
| 177 |
+
The list of numbers or parameters that uniquely specify the
|
| 178 |
+
operator.
|
| 179 |
+
|
| 180 |
+
Examples
|
| 181 |
+
========
|
| 182 |
+
|
| 183 |
+
Create a Lowering Operator and rewrite it in terms of position and
|
| 184 |
+
momentum, and show that taking its adjoint returns a^dagger:
|
| 185 |
+
|
| 186 |
+
>>> from sympy.physics.quantum.sho1d import LoweringOp
|
| 187 |
+
>>> from sympy.physics.quantum import Dagger
|
| 188 |
+
|
| 189 |
+
>>> a = LoweringOp('a')
|
| 190 |
+
>>> a.rewrite('xp').doit()
|
| 191 |
+
sqrt(2)*(m*omega*X + I*Px)/(2*sqrt(hbar)*sqrt(m*omega))
|
| 192 |
+
|
| 193 |
+
>>> Dagger(a)
|
| 194 |
+
RaisingOp(a)
|
| 195 |
+
|
| 196 |
+
Taking the commutator of 'a' with other Operators:
|
| 197 |
+
|
| 198 |
+
>>> from sympy.physics.quantum import Commutator
|
| 199 |
+
>>> from sympy.physics.quantum.sho1d import LoweringOp, RaisingOp
|
| 200 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp
|
| 201 |
+
|
| 202 |
+
>>> a = LoweringOp('a')
|
| 203 |
+
>>> ad = RaisingOp('a')
|
| 204 |
+
>>> N = NumberOp('N')
|
| 205 |
+
>>> Commutator(a, ad).doit()
|
| 206 |
+
1
|
| 207 |
+
>>> Commutator(a, N).doit()
|
| 208 |
+
a
|
| 209 |
+
|
| 210 |
+
Apply 'a' to a state:
|
| 211 |
+
|
| 212 |
+
>>> from sympy.physics.quantum import qapply
|
| 213 |
+
>>> from sympy.physics.quantum.sho1d import LoweringOp, SHOKet
|
| 214 |
+
|
| 215 |
+
>>> a = LoweringOp('a')
|
| 216 |
+
>>> k = SHOKet('k')
|
| 217 |
+
>>> qapply(a*k)
|
| 218 |
+
sqrt(k)*|k - 1>
|
| 219 |
+
|
| 220 |
+
Taking 'a' of the lowest state will return 0:
|
| 221 |
+
|
| 222 |
+
>>> from sympy.physics.quantum import qapply
|
| 223 |
+
>>> from sympy.physics.quantum.sho1d import LoweringOp, SHOKet
|
| 224 |
+
|
| 225 |
+
>>> a = LoweringOp('a')
|
| 226 |
+
>>> k = SHOKet(0)
|
| 227 |
+
>>> qapply(a*k)
|
| 228 |
+
0
|
| 229 |
+
|
| 230 |
+
Matrix Representation
|
| 231 |
+
|
| 232 |
+
>>> from sympy.physics.quantum.sho1d import LoweringOp
|
| 233 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 234 |
+
>>> a = LoweringOp('a')
|
| 235 |
+
>>> represent(a, basis=N, ndim=4, format='sympy')
|
| 236 |
+
Matrix([
|
| 237 |
+
[0, 1, 0, 0],
|
| 238 |
+
[0, 0, sqrt(2), 0],
|
| 239 |
+
[0, 0, 0, sqrt(3)],
|
| 240 |
+
[0, 0, 0, 0]])
|
| 241 |
+
|
| 242 |
+
"""
|
| 243 |
+
|
| 244 |
+
def _eval_rewrite_as_xp(self, *args, **kwargs):
|
| 245 |
+
return (S.One/sqrt(Integer(2)*hbar*m*omega))*(
|
| 246 |
+
I*Px + m*omega*X)
|
| 247 |
+
|
| 248 |
+
def _eval_adjoint(self):
|
| 249 |
+
return RaisingOp(*self.args)
|
| 250 |
+
|
| 251 |
+
def _eval_commutator_RaisingOp(self, other):
|
| 252 |
+
return S.One
|
| 253 |
+
|
| 254 |
+
def _eval_commutator_NumberOp(self, other):
|
| 255 |
+
return self
|
| 256 |
+
|
| 257 |
+
def _apply_operator_SHOKet(self, ket, **options):
|
| 258 |
+
temp = ket.n - Integer(1)
|
| 259 |
+
if ket.n is S.Zero:
|
| 260 |
+
return S.Zero
|
| 261 |
+
else:
|
| 262 |
+
return sqrt(ket.n)*SHOKet(temp)
|
| 263 |
+
|
| 264 |
+
def _represent_default_basis(self, **options):
|
| 265 |
+
return self._represent_NumberOp(None, **options)
|
| 266 |
+
|
| 267 |
+
def _represent_XOp(self, basis, **options):
|
| 268 |
+
# This logic is good but the underlying position
|
| 269 |
+
# representation logic is broken.
|
| 270 |
+
# temp = self.rewrite('xp').doit()
|
| 271 |
+
# result = represent(temp, basis=X)
|
| 272 |
+
# return result
|
| 273 |
+
raise NotImplementedError('Position representation is not implemented')
|
| 274 |
+
|
| 275 |
+
def _represent_NumberOp(self, basis, **options):
|
| 276 |
+
ndim_info = options.get('ndim', 4)
|
| 277 |
+
format = options.get('format', 'sympy')
|
| 278 |
+
matrix = matrix_zeros(ndim_info, ndim_info, **options)
|
| 279 |
+
for i in range(ndim_info - 1):
|
| 280 |
+
value = sqrt(i + 1)
|
| 281 |
+
if format == 'scipy.sparse':
|
| 282 |
+
value = float(value)
|
| 283 |
+
matrix[i,i + 1] = value
|
| 284 |
+
if format == 'scipy.sparse':
|
| 285 |
+
matrix = matrix.tocsr()
|
| 286 |
+
return matrix
|
| 287 |
+
|
| 288 |
+
|
| 289 |
+
class NumberOp(SHOOp):
|
| 290 |
+
"""The Number Operator is simply a^dagger*a
|
| 291 |
+
|
| 292 |
+
It is often useful to write a^dagger*a as simply the Number Operator
|
| 293 |
+
because the Number Operator commutes with the Hamiltonian. And can be
|
| 294 |
+
expressed using the Number Operator. Also the Number Operator can be
|
| 295 |
+
applied to states. We can represent the Number Operator as a matrix,
|
| 296 |
+
which will be its default basis.
|
| 297 |
+
|
| 298 |
+
Parameters
|
| 299 |
+
==========
|
| 300 |
+
|
| 301 |
+
args : tuple
|
| 302 |
+
The list of numbers or parameters that uniquely specify the
|
| 303 |
+
operator.
|
| 304 |
+
|
| 305 |
+
Examples
|
| 306 |
+
========
|
| 307 |
+
|
| 308 |
+
Create a Number Operator and rewrite it in terms of the ladder
|
| 309 |
+
operators, position and momentum operators, and Hamiltonian:
|
| 310 |
+
|
| 311 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp
|
| 312 |
+
|
| 313 |
+
>>> N = NumberOp('N')
|
| 314 |
+
>>> N.rewrite('a').doit()
|
| 315 |
+
RaisingOp(a)*a
|
| 316 |
+
>>> N.rewrite('xp').doit()
|
| 317 |
+
-1/2 + (m**2*omega**2*X**2 + Px**2)/(2*hbar*m*omega)
|
| 318 |
+
>>> N.rewrite('H').doit()
|
| 319 |
+
-1/2 + H/(hbar*omega)
|
| 320 |
+
|
| 321 |
+
Take the Commutator of the Number Operator with other Operators:
|
| 322 |
+
|
| 323 |
+
>>> from sympy.physics.quantum import Commutator
|
| 324 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp, Hamiltonian
|
| 325 |
+
>>> from sympy.physics.quantum.sho1d import RaisingOp, LoweringOp
|
| 326 |
+
|
| 327 |
+
>>> N = NumberOp('N')
|
| 328 |
+
>>> H = Hamiltonian('H')
|
| 329 |
+
>>> ad = RaisingOp('a')
|
| 330 |
+
>>> a = LoweringOp('a')
|
| 331 |
+
>>> Commutator(N,H).doit()
|
| 332 |
+
0
|
| 333 |
+
>>> Commutator(N,ad).doit()
|
| 334 |
+
RaisingOp(a)
|
| 335 |
+
>>> Commutator(N,a).doit()
|
| 336 |
+
-a
|
| 337 |
+
|
| 338 |
+
Apply the Number Operator to a state:
|
| 339 |
+
|
| 340 |
+
>>> from sympy.physics.quantum import qapply
|
| 341 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp, SHOKet
|
| 342 |
+
|
| 343 |
+
>>> N = NumberOp('N')
|
| 344 |
+
>>> k = SHOKet('k')
|
| 345 |
+
>>> qapply(N*k)
|
| 346 |
+
k*|k>
|
| 347 |
+
|
| 348 |
+
Matrix Representation
|
| 349 |
+
|
| 350 |
+
>>> from sympy.physics.quantum.sho1d import NumberOp
|
| 351 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 352 |
+
>>> N = NumberOp('N')
|
| 353 |
+
>>> represent(N, basis=N, ndim=4, format='sympy')
|
| 354 |
+
Matrix([
|
| 355 |
+
[0, 0, 0, 0],
|
| 356 |
+
[0, 1, 0, 0],
|
| 357 |
+
[0, 0, 2, 0],
|
| 358 |
+
[0, 0, 0, 3]])
|
| 359 |
+
|
| 360 |
+
"""
|
| 361 |
+
|
| 362 |
+
def _eval_rewrite_as_a(self, *args, **kwargs):
|
| 363 |
+
return ad*a
|
| 364 |
+
|
| 365 |
+
def _eval_rewrite_as_xp(self, *args, **kwargs):
|
| 366 |
+
return (S.One/(Integer(2)*m*hbar*omega))*(Px**2 + (
|
| 367 |
+
m*omega*X)**2) - S.Half
|
| 368 |
+
|
| 369 |
+
def _eval_rewrite_as_H(self, *args, **kwargs):
|
| 370 |
+
return H/(hbar*omega) - S.Half
|
| 371 |
+
|
| 372 |
+
def _apply_operator_SHOKet(self, ket, **options):
|
| 373 |
+
return ket.n*ket
|
| 374 |
+
|
| 375 |
+
def _eval_commutator_Hamiltonian(self, other):
|
| 376 |
+
return S.Zero
|
| 377 |
+
|
| 378 |
+
def _eval_commutator_RaisingOp(self, other):
|
| 379 |
+
return other
|
| 380 |
+
|
| 381 |
+
def _eval_commutator_LoweringOp(self, other):
|
| 382 |
+
return S.NegativeOne*other
|
| 383 |
+
|
| 384 |
+
def _represent_default_basis(self, **options):
|
| 385 |
+
return self._represent_NumberOp(None, **options)
|
| 386 |
+
|
| 387 |
+
def _represent_XOp(self, basis, **options):
|
| 388 |
+
# This logic is good but the underlying position
|
| 389 |
+
# representation logic is broken.
|
| 390 |
+
# temp = self.rewrite('xp').doit()
|
| 391 |
+
# result = represent(temp, basis=X)
|
| 392 |
+
# return result
|
| 393 |
+
raise NotImplementedError('Position representation is not implemented')
|
| 394 |
+
|
| 395 |
+
def _represent_NumberOp(self, basis, **options):
|
| 396 |
+
ndim_info = options.get('ndim', 4)
|
| 397 |
+
format = options.get('format', 'sympy')
|
| 398 |
+
matrix = matrix_zeros(ndim_info, ndim_info, **options)
|
| 399 |
+
for i in range(ndim_info):
|
| 400 |
+
value = i
|
| 401 |
+
if format == 'scipy.sparse':
|
| 402 |
+
value = float(value)
|
| 403 |
+
matrix[i,i] = value
|
| 404 |
+
if format == 'scipy.sparse':
|
| 405 |
+
matrix = matrix.tocsr()
|
| 406 |
+
return matrix
|
| 407 |
+
|
| 408 |
+
|
| 409 |
+
class Hamiltonian(SHOOp):
|
| 410 |
+
"""The Hamiltonian Operator.
|
| 411 |
+
|
| 412 |
+
The Hamiltonian is used to solve the time-independent Schrodinger
|
| 413 |
+
equation. The Hamiltonian can be expressed using the ladder operators,
|
| 414 |
+
as well as by position and momentum. We can represent the Hamiltonian
|
| 415 |
+
Operator as a matrix, which will be its default basis.
|
| 416 |
+
|
| 417 |
+
Parameters
|
| 418 |
+
==========
|
| 419 |
+
|
| 420 |
+
args : tuple
|
| 421 |
+
The list of numbers or parameters that uniquely specify the
|
| 422 |
+
operator.
|
| 423 |
+
|
| 424 |
+
Examples
|
| 425 |
+
========
|
| 426 |
+
|
| 427 |
+
Create a Hamiltonian Operator and rewrite it in terms of the ladder
|
| 428 |
+
operators, position and momentum, and the Number Operator:
|
| 429 |
+
|
| 430 |
+
>>> from sympy.physics.quantum.sho1d import Hamiltonian
|
| 431 |
+
|
| 432 |
+
>>> H = Hamiltonian('H')
|
| 433 |
+
>>> H.rewrite('a').doit()
|
| 434 |
+
hbar*omega*(1/2 + RaisingOp(a)*a)
|
| 435 |
+
>>> H.rewrite('xp').doit()
|
| 436 |
+
(m**2*omega**2*X**2 + Px**2)/(2*m)
|
| 437 |
+
>>> H.rewrite('N').doit()
|
| 438 |
+
hbar*omega*(1/2 + N)
|
| 439 |
+
|
| 440 |
+
Take the Commutator of the Hamiltonian and the Number Operator:
|
| 441 |
+
|
| 442 |
+
>>> from sympy.physics.quantum import Commutator
|
| 443 |
+
>>> from sympy.physics.quantum.sho1d import Hamiltonian, NumberOp
|
| 444 |
+
|
| 445 |
+
>>> H = Hamiltonian('H')
|
| 446 |
+
>>> N = NumberOp('N')
|
| 447 |
+
>>> Commutator(H,N).doit()
|
| 448 |
+
0
|
| 449 |
+
|
| 450 |
+
Apply the Hamiltonian Operator to a state:
|
| 451 |
+
|
| 452 |
+
>>> from sympy.physics.quantum import qapply
|
| 453 |
+
>>> from sympy.physics.quantum.sho1d import Hamiltonian, SHOKet
|
| 454 |
+
|
| 455 |
+
>>> H = Hamiltonian('H')
|
| 456 |
+
>>> k = SHOKet('k')
|
| 457 |
+
>>> qapply(H*k)
|
| 458 |
+
hbar*k*omega*|k> + hbar*omega*|k>/2
|
| 459 |
+
|
| 460 |
+
Matrix Representation
|
| 461 |
+
|
| 462 |
+
>>> from sympy.physics.quantum.sho1d import Hamiltonian
|
| 463 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 464 |
+
|
| 465 |
+
>>> H = Hamiltonian('H')
|
| 466 |
+
>>> represent(H, basis=N, ndim=4, format='sympy')
|
| 467 |
+
Matrix([
|
| 468 |
+
[hbar*omega/2, 0, 0, 0],
|
| 469 |
+
[ 0, 3*hbar*omega/2, 0, 0],
|
| 470 |
+
[ 0, 0, 5*hbar*omega/2, 0],
|
| 471 |
+
[ 0, 0, 0, 7*hbar*omega/2]])
|
| 472 |
+
|
| 473 |
+
"""
|
| 474 |
+
|
| 475 |
+
def _eval_rewrite_as_a(self, *args, **kwargs):
|
| 476 |
+
return hbar*omega*(ad*a + S.Half)
|
| 477 |
+
|
| 478 |
+
def _eval_rewrite_as_xp(self, *args, **kwargs):
|
| 479 |
+
return (S.One/(Integer(2)*m))*(Px**2 + (m*omega*X)**2)
|
| 480 |
+
|
| 481 |
+
def _eval_rewrite_as_N(self, *args, **kwargs):
|
| 482 |
+
return hbar*omega*(N + S.Half)
|
| 483 |
+
|
| 484 |
+
def _apply_operator_SHOKet(self, ket, **options):
|
| 485 |
+
return (hbar*omega*(ket.n + S.Half))*ket
|
| 486 |
+
|
| 487 |
+
def _eval_commutator_NumberOp(self, other):
|
| 488 |
+
return S.Zero
|
| 489 |
+
|
| 490 |
+
def _represent_default_basis(self, **options):
|
| 491 |
+
return self._represent_NumberOp(None, **options)
|
| 492 |
+
|
| 493 |
+
def _represent_XOp(self, basis, **options):
|
| 494 |
+
# This logic is good but the underlying position
|
| 495 |
+
# representation logic is broken.
|
| 496 |
+
# temp = self.rewrite('xp').doit()
|
| 497 |
+
# result = represent(temp, basis=X)
|
| 498 |
+
# return result
|
| 499 |
+
raise NotImplementedError('Position representation is not implemented')
|
| 500 |
+
|
| 501 |
+
def _represent_NumberOp(self, basis, **options):
|
| 502 |
+
ndim_info = options.get('ndim', 4)
|
| 503 |
+
format = options.get('format', 'sympy')
|
| 504 |
+
matrix = matrix_zeros(ndim_info, ndim_info, **options)
|
| 505 |
+
for i in range(ndim_info):
|
| 506 |
+
value = i + S.Half
|
| 507 |
+
if format == 'scipy.sparse':
|
| 508 |
+
value = float(value)
|
| 509 |
+
matrix[i,i] = value
|
| 510 |
+
if format == 'scipy.sparse':
|
| 511 |
+
matrix = matrix.tocsr()
|
| 512 |
+
return hbar*omega*matrix
|
| 513 |
+
|
| 514 |
+
#------------------------------------------------------------------------------
|
| 515 |
+
|
| 516 |
+
class SHOState(State):
|
| 517 |
+
"""State class for SHO states"""
|
| 518 |
+
|
| 519 |
+
@classmethod
|
| 520 |
+
def _eval_hilbert_space(cls, label):
|
| 521 |
+
return ComplexSpace(S.Infinity)
|
| 522 |
+
|
| 523 |
+
@property
|
| 524 |
+
def n(self):
|
| 525 |
+
return self.args[0]
|
| 526 |
+
|
| 527 |
+
|
| 528 |
+
class SHOKet(SHOState, Ket):
|
| 529 |
+
"""1D eigenket.
|
| 530 |
+
|
| 531 |
+
Inherits from SHOState and Ket.
|
| 532 |
+
|
| 533 |
+
Parameters
|
| 534 |
+
==========
|
| 535 |
+
|
| 536 |
+
args : tuple
|
| 537 |
+
The list of numbers or parameters that uniquely specify the ket
|
| 538 |
+
This is usually its quantum numbers or its symbol.
|
| 539 |
+
|
| 540 |
+
Examples
|
| 541 |
+
========
|
| 542 |
+
|
| 543 |
+
Ket's know about their associated bra:
|
| 544 |
+
|
| 545 |
+
>>> from sympy.physics.quantum.sho1d import SHOKet
|
| 546 |
+
|
| 547 |
+
>>> k = SHOKet('k')
|
| 548 |
+
>>> k.dual
|
| 549 |
+
<k|
|
| 550 |
+
>>> k.dual_class()
|
| 551 |
+
<class 'sympy.physics.quantum.sho1d.SHOBra'>
|
| 552 |
+
|
| 553 |
+
Take the Inner Product with a bra:
|
| 554 |
+
|
| 555 |
+
>>> from sympy.physics.quantum import InnerProduct
|
| 556 |
+
>>> from sympy.physics.quantum.sho1d import SHOKet, SHOBra
|
| 557 |
+
|
| 558 |
+
>>> k = SHOKet('k')
|
| 559 |
+
>>> b = SHOBra('b')
|
| 560 |
+
>>> InnerProduct(b,k).doit()
|
| 561 |
+
KroneckerDelta(b, k)
|
| 562 |
+
|
| 563 |
+
Vector representation of a numerical state ket:
|
| 564 |
+
|
| 565 |
+
>>> from sympy.physics.quantum.sho1d import SHOKet, NumberOp
|
| 566 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 567 |
+
|
| 568 |
+
>>> k = SHOKet(3)
|
| 569 |
+
>>> N = NumberOp('N')
|
| 570 |
+
>>> represent(k, basis=N, ndim=4)
|
| 571 |
+
Matrix([
|
| 572 |
+
[0],
|
| 573 |
+
[0],
|
| 574 |
+
[0],
|
| 575 |
+
[1]])
|
| 576 |
+
|
| 577 |
+
"""
|
| 578 |
+
|
| 579 |
+
@classmethod
|
| 580 |
+
def dual_class(self):
|
| 581 |
+
return SHOBra
|
| 582 |
+
|
| 583 |
+
def _eval_innerproduct_SHOBra(self, bra, **hints):
|
| 584 |
+
result = KroneckerDelta(self.n, bra.n)
|
| 585 |
+
return result
|
| 586 |
+
|
| 587 |
+
def _represent_default_basis(self, **options):
|
| 588 |
+
return self._represent_NumberOp(None, **options)
|
| 589 |
+
|
| 590 |
+
def _represent_NumberOp(self, basis, **options):
|
| 591 |
+
ndim_info = options.get('ndim', 4)
|
| 592 |
+
format = options.get('format', 'sympy')
|
| 593 |
+
options['spmatrix'] = 'lil'
|
| 594 |
+
vector = matrix_zeros(ndim_info, 1, **options)
|
| 595 |
+
if isinstance(self.n, Integer):
|
| 596 |
+
if self.n >= ndim_info:
|
| 597 |
+
return ValueError("N-Dimension too small")
|
| 598 |
+
if format == 'scipy.sparse':
|
| 599 |
+
vector[int(self.n), 0] = 1.0
|
| 600 |
+
vector = vector.tocsr()
|
| 601 |
+
elif format == 'numpy':
|
| 602 |
+
vector[int(self.n), 0] = 1.0
|
| 603 |
+
else:
|
| 604 |
+
vector[self.n, 0] = S.One
|
| 605 |
+
return vector
|
| 606 |
+
else:
|
| 607 |
+
return ValueError("Not Numerical State")
|
| 608 |
+
|
| 609 |
+
|
| 610 |
+
class SHOBra(SHOState, Bra):
|
| 611 |
+
"""A time-independent Bra in SHO.
|
| 612 |
+
|
| 613 |
+
Inherits from SHOState and Bra.
|
| 614 |
+
|
| 615 |
+
Parameters
|
| 616 |
+
==========
|
| 617 |
+
|
| 618 |
+
args : tuple
|
| 619 |
+
The list of numbers or parameters that uniquely specify the ket
|
| 620 |
+
This is usually its quantum numbers or its symbol.
|
| 621 |
+
|
| 622 |
+
Examples
|
| 623 |
+
========
|
| 624 |
+
|
| 625 |
+
Bra's know about their associated ket:
|
| 626 |
+
|
| 627 |
+
>>> from sympy.physics.quantum.sho1d import SHOBra
|
| 628 |
+
|
| 629 |
+
>>> b = SHOBra('b')
|
| 630 |
+
>>> b.dual
|
| 631 |
+
|b>
|
| 632 |
+
>>> b.dual_class()
|
| 633 |
+
<class 'sympy.physics.quantum.sho1d.SHOKet'>
|
| 634 |
+
|
| 635 |
+
Vector representation of a numerical state bra:
|
| 636 |
+
|
| 637 |
+
>>> from sympy.physics.quantum.sho1d import SHOBra, NumberOp
|
| 638 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 639 |
+
|
| 640 |
+
>>> b = SHOBra(3)
|
| 641 |
+
>>> N = NumberOp('N')
|
| 642 |
+
>>> represent(b, basis=N, ndim=4)
|
| 643 |
+
Matrix([[0, 0, 0, 1]])
|
| 644 |
+
|
| 645 |
+
"""
|
| 646 |
+
|
| 647 |
+
@classmethod
|
| 648 |
+
def dual_class(self):
|
| 649 |
+
return SHOKet
|
| 650 |
+
|
| 651 |
+
def _represent_default_basis(self, **options):
|
| 652 |
+
return self._represent_NumberOp(None, **options)
|
| 653 |
+
|
| 654 |
+
def _represent_NumberOp(self, basis, **options):
|
| 655 |
+
ndim_info = options.get('ndim', 4)
|
| 656 |
+
format = options.get('format', 'sympy')
|
| 657 |
+
options['spmatrix'] = 'lil'
|
| 658 |
+
vector = matrix_zeros(1, ndim_info, **options)
|
| 659 |
+
if isinstance(self.n, Integer):
|
| 660 |
+
if self.n >= ndim_info:
|
| 661 |
+
return ValueError("N-Dimension too small")
|
| 662 |
+
if format == 'scipy.sparse':
|
| 663 |
+
vector[0, int(self.n)] = 1.0
|
| 664 |
+
vector = vector.tocsr()
|
| 665 |
+
elif format == 'numpy':
|
| 666 |
+
vector[0, int(self.n)] = 1.0
|
| 667 |
+
else:
|
| 668 |
+
vector[0, self.n] = S.One
|
| 669 |
+
return vector
|
| 670 |
+
else:
|
| 671 |
+
return ValueError("Not Numerical State")
|
| 672 |
+
|
| 673 |
+
|
| 674 |
+
ad = RaisingOp('a')
|
| 675 |
+
a = LoweringOp('a')
|
| 676 |
+
H = Hamiltonian('H')
|
| 677 |
+
N = NumberOp('N')
|
| 678 |
+
omega = Symbol('omega')
|
| 679 |
+
m = Symbol('m')
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/shor.py
ADDED
|
@@ -0,0 +1,173 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Shor's algorithm and helper functions.
|
| 2 |
+
|
| 3 |
+
Todo:
|
| 4 |
+
|
| 5 |
+
* Get the CMod gate working again using the new Gate API.
|
| 6 |
+
* Fix everything.
|
| 7 |
+
* Update docstrings and reformat.
|
| 8 |
+
"""
|
| 9 |
+
|
| 10 |
+
import math
|
| 11 |
+
import random
|
| 12 |
+
|
| 13 |
+
from sympy.core.mul import Mul
|
| 14 |
+
from sympy.core.singleton import S
|
| 15 |
+
from sympy.functions.elementary.exponential import log
|
| 16 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 17 |
+
from sympy.core.intfunc import igcd
|
| 18 |
+
from sympy.ntheory import continued_fraction_periodic as continued_fraction
|
| 19 |
+
from sympy.utilities.iterables import variations
|
| 20 |
+
|
| 21 |
+
from sympy.physics.quantum.gate import Gate
|
| 22 |
+
from sympy.physics.quantum.qubit import Qubit, measure_partial_oneshot
|
| 23 |
+
from sympy.physics.quantum.qapply import qapply
|
| 24 |
+
from sympy.physics.quantum.qft import QFT
|
| 25 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 26 |
+
|
| 27 |
+
|
| 28 |
+
class OrderFindingException(QuantumError):
|
| 29 |
+
pass
|
| 30 |
+
|
| 31 |
+
|
| 32 |
+
class CMod(Gate):
|
| 33 |
+
"""A controlled mod gate.
|
| 34 |
+
|
| 35 |
+
This is black box controlled Mod function for use by shor's algorithm.
|
| 36 |
+
TODO: implement a decompose property that returns how to do this in terms
|
| 37 |
+
of elementary gates
|
| 38 |
+
"""
|
| 39 |
+
|
| 40 |
+
@classmethod
|
| 41 |
+
def _eval_args(cls, args):
|
| 42 |
+
# t = args[0]
|
| 43 |
+
# a = args[1]
|
| 44 |
+
# N = args[2]
|
| 45 |
+
raise NotImplementedError('The CMod gate has not been completed.')
|
| 46 |
+
|
| 47 |
+
@property
|
| 48 |
+
def t(self):
|
| 49 |
+
"""Size of 1/2 input register. First 1/2 holds output."""
|
| 50 |
+
return self.label[0]
|
| 51 |
+
|
| 52 |
+
@property
|
| 53 |
+
def a(self):
|
| 54 |
+
"""Base of the controlled mod function."""
|
| 55 |
+
return self.label[1]
|
| 56 |
+
|
| 57 |
+
@property
|
| 58 |
+
def N(self):
|
| 59 |
+
"""N is the type of modular arithmetic we are doing."""
|
| 60 |
+
return self.label[2]
|
| 61 |
+
|
| 62 |
+
def _apply_operator_Qubit(self, qubits, **options):
|
| 63 |
+
"""
|
| 64 |
+
This directly calculates the controlled mod of the second half of
|
| 65 |
+
the register and puts it in the second
|
| 66 |
+
This will look pretty when we get Tensor Symbolically working
|
| 67 |
+
"""
|
| 68 |
+
n = 1
|
| 69 |
+
k = 0
|
| 70 |
+
# Determine the value stored in high memory.
|
| 71 |
+
for i in range(self.t):
|
| 72 |
+
k += n*qubits[self.t + i]
|
| 73 |
+
n *= 2
|
| 74 |
+
|
| 75 |
+
# The value to go in low memory will be out.
|
| 76 |
+
out = int(self.a**k % self.N)
|
| 77 |
+
|
| 78 |
+
# Create array for new qbit-ket which will have high memory unaffected
|
| 79 |
+
outarray = list(qubits.args[0][:self.t])
|
| 80 |
+
|
| 81 |
+
# Place out in low memory
|
| 82 |
+
for i in reversed(range(self.t)):
|
| 83 |
+
outarray.append((out >> i) & 1)
|
| 84 |
+
|
| 85 |
+
return Qubit(*outarray)
|
| 86 |
+
|
| 87 |
+
|
| 88 |
+
def shor(N):
|
| 89 |
+
"""This function implements Shor's factoring algorithm on the Integer N
|
| 90 |
+
|
| 91 |
+
The algorithm starts by picking a random number (a) and seeing if it is
|
| 92 |
+
coprime with N. If it is not, then the gcd of the two numbers is a factor
|
| 93 |
+
and we are done. Otherwise, it begins the period_finding subroutine which
|
| 94 |
+
finds the period of a in modulo N arithmetic. This period, if even, can
|
| 95 |
+
be used to calculate factors by taking a**(r/2)-1 and a**(r/2)+1.
|
| 96 |
+
These values are returned.
|
| 97 |
+
"""
|
| 98 |
+
a = random.randrange(N - 2) + 2
|
| 99 |
+
if igcd(N, a) != 1:
|
| 100 |
+
return igcd(N, a)
|
| 101 |
+
r = period_find(a, N)
|
| 102 |
+
if r % 2 == 1:
|
| 103 |
+
shor(N)
|
| 104 |
+
answer = (igcd(a**(r/2) - 1, N), igcd(a**(r/2) + 1, N))
|
| 105 |
+
return answer
|
| 106 |
+
|
| 107 |
+
|
| 108 |
+
def getr(x, y, N):
|
| 109 |
+
fraction = continued_fraction(x, y)
|
| 110 |
+
# Now convert into r
|
| 111 |
+
total = ratioize(fraction, N)
|
| 112 |
+
return total
|
| 113 |
+
|
| 114 |
+
|
| 115 |
+
def ratioize(list, N):
|
| 116 |
+
if list[0] > N:
|
| 117 |
+
return S.Zero
|
| 118 |
+
if len(list) == 1:
|
| 119 |
+
return list[0]
|
| 120 |
+
return list[0] + ratioize(list[1:], N)
|
| 121 |
+
|
| 122 |
+
|
| 123 |
+
def period_find(a, N):
|
| 124 |
+
"""Finds the period of a in modulo N arithmetic
|
| 125 |
+
|
| 126 |
+
This is quantum part of Shor's algorithm. It takes two registers,
|
| 127 |
+
puts first in superposition of states with Hadamards so: ``|k>|0>``
|
| 128 |
+
with k being all possible choices. It then does a controlled mod and
|
| 129 |
+
a QFT to determine the order of a.
|
| 130 |
+
"""
|
| 131 |
+
epsilon = .5
|
| 132 |
+
# picks out t's such that maintains accuracy within epsilon
|
| 133 |
+
t = int(2*math.ceil(log(N, 2)))
|
| 134 |
+
# make the first half of register be 0's |000...000>
|
| 135 |
+
start = [0 for x in range(t)]
|
| 136 |
+
# Put second half into superposition of states so we have |1>x|0> + |2>x|0> + ... |k>x>|0> + ... + |2**n-1>x|0>
|
| 137 |
+
factor = 1/sqrt(2**t)
|
| 138 |
+
qubits = 0
|
| 139 |
+
for arr in variations(range(2), t, repetition=True):
|
| 140 |
+
qbitArray = list(arr) + start
|
| 141 |
+
qubits = qubits + Qubit(*qbitArray)
|
| 142 |
+
circuit = (factor*qubits).expand()
|
| 143 |
+
# Controlled second half of register so that we have:
|
| 144 |
+
# |1>x|a**1 %N> + |2>x|a**2 %N> + ... + |k>x|a**k %N >+ ... + |2**n-1=k>x|a**k % n>
|
| 145 |
+
circuit = CMod(t, a, N)*circuit
|
| 146 |
+
# will measure first half of register giving one of the a**k%N's
|
| 147 |
+
|
| 148 |
+
circuit = qapply(circuit)
|
| 149 |
+
for i in range(t):
|
| 150 |
+
circuit = measure_partial_oneshot(circuit, i)
|
| 151 |
+
# Now apply Inverse Quantum Fourier Transform on the second half of the register
|
| 152 |
+
|
| 153 |
+
circuit = qapply(QFT(t, t*2).decompose()*circuit, floatingPoint=True)
|
| 154 |
+
for i in range(t):
|
| 155 |
+
circuit = measure_partial_oneshot(circuit, i + t)
|
| 156 |
+
if isinstance(circuit, Qubit):
|
| 157 |
+
register = circuit
|
| 158 |
+
elif isinstance(circuit, Mul):
|
| 159 |
+
register = circuit.args[-1]
|
| 160 |
+
else:
|
| 161 |
+
register = circuit.args[-1].args[-1]
|
| 162 |
+
|
| 163 |
+
n = 1
|
| 164 |
+
answer = 0
|
| 165 |
+
for i in range(len(register)/2):
|
| 166 |
+
answer += n*register[i + t]
|
| 167 |
+
n = n << 1
|
| 168 |
+
if answer == 0:
|
| 169 |
+
raise OrderFindingException(
|
| 170 |
+
"Order finder returned 0. Happens with chance %f" % epsilon)
|
| 171 |
+
#turn answer into r using continued fractions
|
| 172 |
+
g = getr(answer, 2**t, N)
|
| 173 |
+
return g
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/spin.py
ADDED
|
@@ -0,0 +1,2150 @@
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|
| 1 |
+
"""Quantum mechanical angular momemtum."""
|
| 2 |
+
|
| 3 |
+
from sympy.concrete.summations import Sum
|
| 4 |
+
from sympy.core.add import Add
|
| 5 |
+
from sympy.core.containers import Tuple
|
| 6 |
+
from sympy.core.expr import Expr
|
| 7 |
+
from sympy.core.numbers import int_valued
|
| 8 |
+
from sympy.core.mul import Mul
|
| 9 |
+
from sympy.core.numbers import (I, Integer, Rational, pi)
|
| 10 |
+
from sympy.core.singleton import S
|
| 11 |
+
from sympy.core.symbol import (Dummy, symbols)
|
| 12 |
+
from sympy.core.sympify import sympify
|
| 13 |
+
from sympy.functions.combinatorial.factorials import (binomial, factorial)
|
| 14 |
+
from sympy.functions.elementary.exponential import exp
|
| 15 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 16 |
+
from sympy.functions.elementary.trigonometric import (cos, sin)
|
| 17 |
+
from sympy.simplify.simplify import simplify
|
| 18 |
+
from sympy.matrices import zeros
|
| 19 |
+
from sympy.printing.pretty.stringpict import prettyForm, stringPict
|
| 20 |
+
from sympy.printing.pretty.pretty_symbology import pretty_symbol
|
| 21 |
+
|
| 22 |
+
from sympy.physics.quantum.qexpr import QExpr
|
| 23 |
+
from sympy.physics.quantum.operator import (HermitianOperator, Operator,
|
| 24 |
+
UnitaryOperator)
|
| 25 |
+
from sympy.physics.quantum.state import Bra, Ket, State
|
| 26 |
+
from sympy.functions.special.tensor_functions import KroneckerDelta
|
| 27 |
+
from sympy.physics.quantum.constants import hbar
|
| 28 |
+
from sympy.physics.quantum.hilbert import ComplexSpace, DirectSumHilbertSpace
|
| 29 |
+
from sympy.physics.quantum.tensorproduct import TensorProduct
|
| 30 |
+
from sympy.physics.quantum.cg import CG
|
| 31 |
+
from sympy.physics.quantum.qapply import qapply
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
__all__ = [
|
| 35 |
+
'm_values',
|
| 36 |
+
'Jplus',
|
| 37 |
+
'Jminus',
|
| 38 |
+
'Jx',
|
| 39 |
+
'Jy',
|
| 40 |
+
'Jz',
|
| 41 |
+
'J2',
|
| 42 |
+
'Rotation',
|
| 43 |
+
'WignerD',
|
| 44 |
+
'JxKet',
|
| 45 |
+
'JxBra',
|
| 46 |
+
'JyKet',
|
| 47 |
+
'JyBra',
|
| 48 |
+
'JzKet',
|
| 49 |
+
'JzBra',
|
| 50 |
+
'JzOp',
|
| 51 |
+
'J2Op',
|
| 52 |
+
'JxKetCoupled',
|
| 53 |
+
'JxBraCoupled',
|
| 54 |
+
'JyKetCoupled',
|
| 55 |
+
'JyBraCoupled',
|
| 56 |
+
'JzKetCoupled',
|
| 57 |
+
'JzBraCoupled',
|
| 58 |
+
'couple',
|
| 59 |
+
'uncouple'
|
| 60 |
+
]
|
| 61 |
+
|
| 62 |
+
|
| 63 |
+
def m_values(j):
|
| 64 |
+
j = sympify(j)
|
| 65 |
+
size = 2*j + 1
|
| 66 |
+
if not size.is_Integer or not size > 0:
|
| 67 |
+
raise ValueError(
|
| 68 |
+
'Only integer or half-integer values allowed for j, got: : %r' % j
|
| 69 |
+
)
|
| 70 |
+
return size, [j - i for i in range(int(2*j + 1))]
|
| 71 |
+
|
| 72 |
+
|
| 73 |
+
#-----------------------------------------------------------------------------
|
| 74 |
+
# Spin Operators
|
| 75 |
+
#-----------------------------------------------------------------------------
|
| 76 |
+
|
| 77 |
+
|
| 78 |
+
class SpinOpBase:
|
| 79 |
+
"""Base class for spin operators."""
|
| 80 |
+
|
| 81 |
+
@classmethod
|
| 82 |
+
def _eval_hilbert_space(cls, label):
|
| 83 |
+
# We consider all j values so our space is infinite.
|
| 84 |
+
return ComplexSpace(S.Infinity)
|
| 85 |
+
|
| 86 |
+
@property
|
| 87 |
+
def name(self):
|
| 88 |
+
return self.args[0]
|
| 89 |
+
|
| 90 |
+
def _print_contents(self, printer, *args):
|
| 91 |
+
return '%s%s' % (self.name, self._coord)
|
| 92 |
+
|
| 93 |
+
def _print_contents_pretty(self, printer, *args):
|
| 94 |
+
a = stringPict(str(self.name))
|
| 95 |
+
b = stringPict(self._coord)
|
| 96 |
+
return self._print_subscript_pretty(a, b)
|
| 97 |
+
|
| 98 |
+
def _print_contents_latex(self, printer, *args):
|
| 99 |
+
return r'%s_%s' % ((self.name, self._coord))
|
| 100 |
+
|
| 101 |
+
def _represent_base(self, basis, **options):
|
| 102 |
+
j = options.get('j', S.Half)
|
| 103 |
+
size, mvals = m_values(j)
|
| 104 |
+
result = zeros(size, size)
|
| 105 |
+
for p in range(size):
|
| 106 |
+
for q in range(size):
|
| 107 |
+
me = self.matrix_element(j, mvals[p], j, mvals[q])
|
| 108 |
+
result[p, q] = me
|
| 109 |
+
return result
|
| 110 |
+
|
| 111 |
+
def _apply_op(self, ket, orig_basis, **options):
|
| 112 |
+
state = ket.rewrite(self.basis)
|
| 113 |
+
# If the state has only one term
|
| 114 |
+
if isinstance(state, State):
|
| 115 |
+
ret = (hbar*state.m)*state
|
| 116 |
+
# state is a linear combination of states
|
| 117 |
+
elif isinstance(state, Sum):
|
| 118 |
+
ret = self._apply_operator_Sum(state, **options)
|
| 119 |
+
else:
|
| 120 |
+
ret = qapply(self*state)
|
| 121 |
+
if ret == self*state:
|
| 122 |
+
raise NotImplementedError
|
| 123 |
+
return ret.rewrite(orig_basis)
|
| 124 |
+
|
| 125 |
+
def _apply_operator_JxKet(self, ket, **options):
|
| 126 |
+
return self._apply_op(ket, 'Jx', **options)
|
| 127 |
+
|
| 128 |
+
def _apply_operator_JxKetCoupled(self, ket, **options):
|
| 129 |
+
return self._apply_op(ket, 'Jx', **options)
|
| 130 |
+
|
| 131 |
+
def _apply_operator_JyKet(self, ket, **options):
|
| 132 |
+
return self._apply_op(ket, 'Jy', **options)
|
| 133 |
+
|
| 134 |
+
def _apply_operator_JyKetCoupled(self, ket, **options):
|
| 135 |
+
return self._apply_op(ket, 'Jy', **options)
|
| 136 |
+
|
| 137 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 138 |
+
return self._apply_op(ket, 'Jz', **options)
|
| 139 |
+
|
| 140 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 141 |
+
return self._apply_op(ket, 'Jz', **options)
|
| 142 |
+
|
| 143 |
+
def _apply_operator_TensorProduct(self, tp, **options):
|
| 144 |
+
# Uncoupling operator is only easily found for coordinate basis spin operators
|
| 145 |
+
# TODO: add methods for uncoupling operators
|
| 146 |
+
if not isinstance(self, (JxOp, JyOp, JzOp)):
|
| 147 |
+
raise NotImplementedError
|
| 148 |
+
result = []
|
| 149 |
+
for n in range(len(tp.args)):
|
| 150 |
+
arg = []
|
| 151 |
+
arg.extend(tp.args[:n])
|
| 152 |
+
arg.append(self._apply_operator(tp.args[n]))
|
| 153 |
+
arg.extend(tp.args[n + 1:])
|
| 154 |
+
result.append(tp.__class__(*arg))
|
| 155 |
+
return Add(*result).expand()
|
| 156 |
+
|
| 157 |
+
# TODO: move this to qapply_Mul
|
| 158 |
+
def _apply_operator_Sum(self, s, **options):
|
| 159 |
+
new_func = qapply(self*s.function)
|
| 160 |
+
if new_func == self*s.function:
|
| 161 |
+
raise NotImplementedError
|
| 162 |
+
return Sum(new_func, *s.limits)
|
| 163 |
+
|
| 164 |
+
def _eval_trace(self, **options):
|
| 165 |
+
#TODO: use options to use different j values
|
| 166 |
+
#For now eval at default basis
|
| 167 |
+
|
| 168 |
+
# is it efficient to represent each time
|
| 169 |
+
# to do a trace?
|
| 170 |
+
return self._represent_default_basis().trace()
|
| 171 |
+
|
| 172 |
+
|
| 173 |
+
class JplusOp(SpinOpBase, Operator):
|
| 174 |
+
"""The J+ operator."""
|
| 175 |
+
|
| 176 |
+
_coord = '+'
|
| 177 |
+
|
| 178 |
+
basis = 'Jz'
|
| 179 |
+
|
| 180 |
+
def _eval_commutator_JminusOp(self, other):
|
| 181 |
+
return 2*hbar*JzOp(self.name)
|
| 182 |
+
|
| 183 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 184 |
+
j = ket.j
|
| 185 |
+
m = ket.m
|
| 186 |
+
if m.is_Number and j.is_Number:
|
| 187 |
+
if m >= j:
|
| 188 |
+
return S.Zero
|
| 189 |
+
return hbar*sqrt(j*(j + S.One) - m*(m + S.One))*JzKet(j, m + S.One)
|
| 190 |
+
|
| 191 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 192 |
+
j = ket.j
|
| 193 |
+
m = ket.m
|
| 194 |
+
jn = ket.jn
|
| 195 |
+
coupling = ket.coupling
|
| 196 |
+
if m.is_Number and j.is_Number:
|
| 197 |
+
if m >= j:
|
| 198 |
+
return S.Zero
|
| 199 |
+
return hbar*sqrt(j*(j + S.One) - m*(m + S.One))*JzKetCoupled(j, m + S.One, jn, coupling)
|
| 200 |
+
|
| 201 |
+
def matrix_element(self, j, m, jp, mp):
|
| 202 |
+
result = hbar*sqrt(j*(j + S.One) - mp*(mp + S.One))
|
| 203 |
+
result *= KroneckerDelta(m, mp + 1)
|
| 204 |
+
result *= KroneckerDelta(j, jp)
|
| 205 |
+
return result
|
| 206 |
+
|
| 207 |
+
def _represent_default_basis(self, **options):
|
| 208 |
+
return self._represent_JzOp(None, **options)
|
| 209 |
+
|
| 210 |
+
def _represent_JzOp(self, basis, **options):
|
| 211 |
+
return self._represent_base(basis, **options)
|
| 212 |
+
|
| 213 |
+
def _eval_rewrite_as_xyz(self, *args, **kwargs):
|
| 214 |
+
return JxOp(args[0]) + I*JyOp(args[0])
|
| 215 |
+
|
| 216 |
+
|
| 217 |
+
class JminusOp(SpinOpBase, Operator):
|
| 218 |
+
"""The J- operator."""
|
| 219 |
+
|
| 220 |
+
_coord = '-'
|
| 221 |
+
|
| 222 |
+
basis = 'Jz'
|
| 223 |
+
|
| 224 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 225 |
+
j = ket.j
|
| 226 |
+
m = ket.m
|
| 227 |
+
if m.is_Number and j.is_Number:
|
| 228 |
+
if m <= -j:
|
| 229 |
+
return S.Zero
|
| 230 |
+
return hbar*sqrt(j*(j + S.One) - m*(m - S.One))*JzKet(j, m - S.One)
|
| 231 |
+
|
| 232 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 233 |
+
j = ket.j
|
| 234 |
+
m = ket.m
|
| 235 |
+
jn = ket.jn
|
| 236 |
+
coupling = ket.coupling
|
| 237 |
+
if m.is_Number and j.is_Number:
|
| 238 |
+
if m <= -j:
|
| 239 |
+
return S.Zero
|
| 240 |
+
return hbar*sqrt(j*(j + S.One) - m*(m - S.One))*JzKetCoupled(j, m - S.One, jn, coupling)
|
| 241 |
+
|
| 242 |
+
def matrix_element(self, j, m, jp, mp):
|
| 243 |
+
result = hbar*sqrt(j*(j + S.One) - mp*(mp - S.One))
|
| 244 |
+
result *= KroneckerDelta(m, mp - 1)
|
| 245 |
+
result *= KroneckerDelta(j, jp)
|
| 246 |
+
return result
|
| 247 |
+
|
| 248 |
+
def _represent_default_basis(self, **options):
|
| 249 |
+
return self._represent_JzOp(None, **options)
|
| 250 |
+
|
| 251 |
+
def _represent_JzOp(self, basis, **options):
|
| 252 |
+
return self._represent_base(basis, **options)
|
| 253 |
+
|
| 254 |
+
def _eval_rewrite_as_xyz(self, *args, **kwargs):
|
| 255 |
+
return JxOp(args[0]) - I*JyOp(args[0])
|
| 256 |
+
|
| 257 |
+
|
| 258 |
+
class JxOp(SpinOpBase, HermitianOperator):
|
| 259 |
+
"""The Jx operator."""
|
| 260 |
+
|
| 261 |
+
_coord = 'x'
|
| 262 |
+
|
| 263 |
+
basis = 'Jx'
|
| 264 |
+
|
| 265 |
+
def _eval_commutator_JyOp(self, other):
|
| 266 |
+
return I*hbar*JzOp(self.name)
|
| 267 |
+
|
| 268 |
+
def _eval_commutator_JzOp(self, other):
|
| 269 |
+
return -I*hbar*JyOp(self.name)
|
| 270 |
+
|
| 271 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 272 |
+
jp = JplusOp(self.name)._apply_operator_JzKet(ket, **options)
|
| 273 |
+
jm = JminusOp(self.name)._apply_operator_JzKet(ket, **options)
|
| 274 |
+
return (jp + jm)/Integer(2)
|
| 275 |
+
|
| 276 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 277 |
+
jp = JplusOp(self.name)._apply_operator_JzKetCoupled(ket, **options)
|
| 278 |
+
jm = JminusOp(self.name)._apply_operator_JzKetCoupled(ket, **options)
|
| 279 |
+
return (jp + jm)/Integer(2)
|
| 280 |
+
|
| 281 |
+
def _represent_default_basis(self, **options):
|
| 282 |
+
return self._represent_JzOp(None, **options)
|
| 283 |
+
|
| 284 |
+
def _represent_JzOp(self, basis, **options):
|
| 285 |
+
jp = JplusOp(self.name)._represent_JzOp(basis, **options)
|
| 286 |
+
jm = JminusOp(self.name)._represent_JzOp(basis, **options)
|
| 287 |
+
return (jp + jm)/Integer(2)
|
| 288 |
+
|
| 289 |
+
def _eval_rewrite_as_plusminus(self, *args, **kwargs):
|
| 290 |
+
return (JplusOp(args[0]) + JminusOp(args[0]))/2
|
| 291 |
+
|
| 292 |
+
|
| 293 |
+
class JyOp(SpinOpBase, HermitianOperator):
|
| 294 |
+
"""The Jy operator."""
|
| 295 |
+
|
| 296 |
+
_coord = 'y'
|
| 297 |
+
|
| 298 |
+
basis = 'Jy'
|
| 299 |
+
|
| 300 |
+
def _eval_commutator_JzOp(self, other):
|
| 301 |
+
return I*hbar*JxOp(self.name)
|
| 302 |
+
|
| 303 |
+
def _eval_commutator_JxOp(self, other):
|
| 304 |
+
return -I*hbar*J2Op(self.name)
|
| 305 |
+
|
| 306 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 307 |
+
jp = JplusOp(self.name)._apply_operator_JzKet(ket, **options)
|
| 308 |
+
jm = JminusOp(self.name)._apply_operator_JzKet(ket, **options)
|
| 309 |
+
return (jp - jm)/(Integer(2)*I)
|
| 310 |
+
|
| 311 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 312 |
+
jp = JplusOp(self.name)._apply_operator_JzKetCoupled(ket, **options)
|
| 313 |
+
jm = JminusOp(self.name)._apply_operator_JzKetCoupled(ket, **options)
|
| 314 |
+
return (jp - jm)/(Integer(2)*I)
|
| 315 |
+
|
| 316 |
+
def _represent_default_basis(self, **options):
|
| 317 |
+
return self._represent_JzOp(None, **options)
|
| 318 |
+
|
| 319 |
+
def _represent_JzOp(self, basis, **options):
|
| 320 |
+
jp = JplusOp(self.name)._represent_JzOp(basis, **options)
|
| 321 |
+
jm = JminusOp(self.name)._represent_JzOp(basis, **options)
|
| 322 |
+
return (jp - jm)/(Integer(2)*I)
|
| 323 |
+
|
| 324 |
+
def _eval_rewrite_as_plusminus(self, *args, **kwargs):
|
| 325 |
+
return (JplusOp(args[0]) - JminusOp(args[0]))/(2*I)
|
| 326 |
+
|
| 327 |
+
|
| 328 |
+
class JzOp(SpinOpBase, HermitianOperator):
|
| 329 |
+
"""The Jz operator."""
|
| 330 |
+
|
| 331 |
+
_coord = 'z'
|
| 332 |
+
|
| 333 |
+
basis = 'Jz'
|
| 334 |
+
|
| 335 |
+
def _eval_commutator_JxOp(self, other):
|
| 336 |
+
return I*hbar*JyOp(self.name)
|
| 337 |
+
|
| 338 |
+
def _eval_commutator_JyOp(self, other):
|
| 339 |
+
return -I*hbar*JxOp(self.name)
|
| 340 |
+
|
| 341 |
+
def _eval_commutator_JplusOp(self, other):
|
| 342 |
+
return hbar*JplusOp(self.name)
|
| 343 |
+
|
| 344 |
+
def _eval_commutator_JminusOp(self, other):
|
| 345 |
+
return -hbar*JminusOp(self.name)
|
| 346 |
+
|
| 347 |
+
def matrix_element(self, j, m, jp, mp):
|
| 348 |
+
result = hbar*mp
|
| 349 |
+
result *= KroneckerDelta(m, mp)
|
| 350 |
+
result *= KroneckerDelta(j, jp)
|
| 351 |
+
return result
|
| 352 |
+
|
| 353 |
+
def _represent_default_basis(self, **options):
|
| 354 |
+
return self._represent_JzOp(None, **options)
|
| 355 |
+
|
| 356 |
+
def _represent_JzOp(self, basis, **options):
|
| 357 |
+
return self._represent_base(basis, **options)
|
| 358 |
+
|
| 359 |
+
|
| 360 |
+
class J2Op(SpinOpBase, HermitianOperator):
|
| 361 |
+
"""The J^2 operator."""
|
| 362 |
+
|
| 363 |
+
_coord = '2'
|
| 364 |
+
|
| 365 |
+
def _eval_commutator_JxOp(self, other):
|
| 366 |
+
return S.Zero
|
| 367 |
+
|
| 368 |
+
def _eval_commutator_JyOp(self, other):
|
| 369 |
+
return S.Zero
|
| 370 |
+
|
| 371 |
+
def _eval_commutator_JzOp(self, other):
|
| 372 |
+
return S.Zero
|
| 373 |
+
|
| 374 |
+
def _eval_commutator_JplusOp(self, other):
|
| 375 |
+
return S.Zero
|
| 376 |
+
|
| 377 |
+
def _eval_commutator_JminusOp(self, other):
|
| 378 |
+
return S.Zero
|
| 379 |
+
|
| 380 |
+
def _apply_operator_JxKet(self, ket, **options):
|
| 381 |
+
j = ket.j
|
| 382 |
+
return hbar**2*j*(j + 1)*ket
|
| 383 |
+
|
| 384 |
+
def _apply_operator_JxKetCoupled(self, ket, **options):
|
| 385 |
+
j = ket.j
|
| 386 |
+
return hbar**2*j*(j + 1)*ket
|
| 387 |
+
|
| 388 |
+
def _apply_operator_JyKet(self, ket, **options):
|
| 389 |
+
j = ket.j
|
| 390 |
+
return hbar**2*j*(j + 1)*ket
|
| 391 |
+
|
| 392 |
+
def _apply_operator_JyKetCoupled(self, ket, **options):
|
| 393 |
+
j = ket.j
|
| 394 |
+
return hbar**2*j*(j + 1)*ket
|
| 395 |
+
|
| 396 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 397 |
+
j = ket.j
|
| 398 |
+
return hbar**2*j*(j + 1)*ket
|
| 399 |
+
|
| 400 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 401 |
+
j = ket.j
|
| 402 |
+
return hbar**2*j*(j + 1)*ket
|
| 403 |
+
|
| 404 |
+
def matrix_element(self, j, m, jp, mp):
|
| 405 |
+
result = (hbar**2)*j*(j + 1)
|
| 406 |
+
result *= KroneckerDelta(m, mp)
|
| 407 |
+
result *= KroneckerDelta(j, jp)
|
| 408 |
+
return result
|
| 409 |
+
|
| 410 |
+
def _represent_default_basis(self, **options):
|
| 411 |
+
return self._represent_JzOp(None, **options)
|
| 412 |
+
|
| 413 |
+
def _represent_JzOp(self, basis, **options):
|
| 414 |
+
return self._represent_base(basis, **options)
|
| 415 |
+
|
| 416 |
+
def _print_contents_pretty(self, printer, *args):
|
| 417 |
+
a = prettyForm(str(self.name))
|
| 418 |
+
b = prettyForm('2')
|
| 419 |
+
return a**b
|
| 420 |
+
|
| 421 |
+
def _print_contents_latex(self, printer, *args):
|
| 422 |
+
return r'%s^2' % str(self.name)
|
| 423 |
+
|
| 424 |
+
def _eval_rewrite_as_xyz(self, *args, **kwargs):
|
| 425 |
+
return JxOp(args[0])**2 + JyOp(args[0])**2 + JzOp(args[0])**2
|
| 426 |
+
|
| 427 |
+
def _eval_rewrite_as_plusminus(self, *args, **kwargs):
|
| 428 |
+
a = args[0]
|
| 429 |
+
return JzOp(a)**2 + \
|
| 430 |
+
S.Half*(JplusOp(a)*JminusOp(a) + JminusOp(a)*JplusOp(a))
|
| 431 |
+
|
| 432 |
+
|
| 433 |
+
class Rotation(UnitaryOperator):
|
| 434 |
+
"""Wigner D operator in terms of Euler angles.
|
| 435 |
+
|
| 436 |
+
Defines the rotation operator in terms of the Euler angles defined by
|
| 437 |
+
the z-y-z convention for a passive transformation. That is the coordinate
|
| 438 |
+
axes are rotated first about the z-axis, giving the new x'-y'-z' axes. Then
|
| 439 |
+
this new coordinate system is rotated about the new y'-axis, giving new
|
| 440 |
+
x''-y''-z'' axes. Then this new coordinate system is rotated about the
|
| 441 |
+
z''-axis. Conventions follow those laid out in [1]_.
|
| 442 |
+
|
| 443 |
+
Parameters
|
| 444 |
+
==========
|
| 445 |
+
|
| 446 |
+
alpha : Number, Symbol
|
| 447 |
+
First Euler Angle
|
| 448 |
+
beta : Number, Symbol
|
| 449 |
+
Second Euler angle
|
| 450 |
+
gamma : Number, Symbol
|
| 451 |
+
Third Euler angle
|
| 452 |
+
|
| 453 |
+
Examples
|
| 454 |
+
========
|
| 455 |
+
|
| 456 |
+
A simple example rotation operator:
|
| 457 |
+
|
| 458 |
+
>>> from sympy import pi
|
| 459 |
+
>>> from sympy.physics.quantum.spin import Rotation
|
| 460 |
+
>>> Rotation(pi, 0, pi/2)
|
| 461 |
+
R(pi,0,pi/2)
|
| 462 |
+
|
| 463 |
+
With symbolic Euler angles and calculating the inverse rotation operator:
|
| 464 |
+
|
| 465 |
+
>>> from sympy import symbols
|
| 466 |
+
>>> a, b, c = symbols('a b c')
|
| 467 |
+
>>> Rotation(a, b, c)
|
| 468 |
+
R(a,b,c)
|
| 469 |
+
>>> Rotation(a, b, c).inverse()
|
| 470 |
+
R(-c,-b,-a)
|
| 471 |
+
|
| 472 |
+
See Also
|
| 473 |
+
========
|
| 474 |
+
|
| 475 |
+
WignerD: Symbolic Wigner-D function
|
| 476 |
+
D: Wigner-D function
|
| 477 |
+
d: Wigner small-d function
|
| 478 |
+
|
| 479 |
+
References
|
| 480 |
+
==========
|
| 481 |
+
|
| 482 |
+
.. [1] Varshalovich, D A, Quantum Theory of Angular Momentum. 1988.
|
| 483 |
+
"""
|
| 484 |
+
|
| 485 |
+
@classmethod
|
| 486 |
+
def _eval_args(cls, args):
|
| 487 |
+
args = QExpr._eval_args(args)
|
| 488 |
+
if len(args) != 3:
|
| 489 |
+
raise ValueError('3 Euler angles required, got: %r' % args)
|
| 490 |
+
return args
|
| 491 |
+
|
| 492 |
+
@classmethod
|
| 493 |
+
def _eval_hilbert_space(cls, label):
|
| 494 |
+
# We consider all j values so our space is infinite.
|
| 495 |
+
return ComplexSpace(S.Infinity)
|
| 496 |
+
|
| 497 |
+
@property
|
| 498 |
+
def alpha(self):
|
| 499 |
+
return self.label[0]
|
| 500 |
+
|
| 501 |
+
@property
|
| 502 |
+
def beta(self):
|
| 503 |
+
return self.label[1]
|
| 504 |
+
|
| 505 |
+
@property
|
| 506 |
+
def gamma(self):
|
| 507 |
+
return self.label[2]
|
| 508 |
+
|
| 509 |
+
def _print_operator_name(self, printer, *args):
|
| 510 |
+
return 'R'
|
| 511 |
+
|
| 512 |
+
def _print_operator_name_pretty(self, printer, *args):
|
| 513 |
+
if printer._use_unicode:
|
| 514 |
+
return prettyForm('\N{SCRIPT CAPITAL R}' + ' ')
|
| 515 |
+
else:
|
| 516 |
+
return prettyForm("R ")
|
| 517 |
+
|
| 518 |
+
def _print_operator_name_latex(self, printer, *args):
|
| 519 |
+
return r'\mathcal{R}'
|
| 520 |
+
|
| 521 |
+
def _eval_inverse(self):
|
| 522 |
+
return Rotation(-self.gamma, -self.beta, -self.alpha)
|
| 523 |
+
|
| 524 |
+
@classmethod
|
| 525 |
+
def D(cls, j, m, mp, alpha, beta, gamma):
|
| 526 |
+
"""Wigner D-function.
|
| 527 |
+
|
| 528 |
+
Returns an instance of the WignerD class corresponding to the Wigner-D
|
| 529 |
+
function specified by the parameters.
|
| 530 |
+
|
| 531 |
+
Parameters
|
| 532 |
+
===========
|
| 533 |
+
|
| 534 |
+
j : Number
|
| 535 |
+
Total angular momentum
|
| 536 |
+
m : Number
|
| 537 |
+
Eigenvalue of angular momentum along axis after rotation
|
| 538 |
+
mp : Number
|
| 539 |
+
Eigenvalue of angular momentum along rotated axis
|
| 540 |
+
alpha : Number, Symbol
|
| 541 |
+
First Euler angle of rotation
|
| 542 |
+
beta : Number, Symbol
|
| 543 |
+
Second Euler angle of rotation
|
| 544 |
+
gamma : Number, Symbol
|
| 545 |
+
Third Euler angle of rotation
|
| 546 |
+
|
| 547 |
+
Examples
|
| 548 |
+
========
|
| 549 |
+
|
| 550 |
+
Return the Wigner-D matrix element for a defined rotation, both
|
| 551 |
+
numerical and symbolic:
|
| 552 |
+
|
| 553 |
+
>>> from sympy.physics.quantum.spin import Rotation
|
| 554 |
+
>>> from sympy import pi, symbols
|
| 555 |
+
>>> alpha, beta, gamma = symbols('alpha beta gamma')
|
| 556 |
+
>>> Rotation.D(1, 1, 0,pi, pi/2,-pi)
|
| 557 |
+
WignerD(1, 1, 0, pi, pi/2, -pi)
|
| 558 |
+
|
| 559 |
+
See Also
|
| 560 |
+
========
|
| 561 |
+
|
| 562 |
+
WignerD: Symbolic Wigner-D function
|
| 563 |
+
|
| 564 |
+
"""
|
| 565 |
+
return WignerD(j, m, mp, alpha, beta, gamma)
|
| 566 |
+
|
| 567 |
+
@classmethod
|
| 568 |
+
def d(cls, j, m, mp, beta):
|
| 569 |
+
"""Wigner small-d function.
|
| 570 |
+
|
| 571 |
+
Returns an instance of the WignerD class corresponding to the Wigner-D
|
| 572 |
+
function specified by the parameters with the alpha and gamma angles
|
| 573 |
+
given as 0.
|
| 574 |
+
|
| 575 |
+
Parameters
|
| 576 |
+
===========
|
| 577 |
+
|
| 578 |
+
j : Number
|
| 579 |
+
Total angular momentum
|
| 580 |
+
m : Number
|
| 581 |
+
Eigenvalue of angular momentum along axis after rotation
|
| 582 |
+
mp : Number
|
| 583 |
+
Eigenvalue of angular momentum along rotated axis
|
| 584 |
+
beta : Number, Symbol
|
| 585 |
+
Second Euler angle of rotation
|
| 586 |
+
|
| 587 |
+
Examples
|
| 588 |
+
========
|
| 589 |
+
|
| 590 |
+
Return the Wigner-D matrix element for a defined rotation, both
|
| 591 |
+
numerical and symbolic:
|
| 592 |
+
|
| 593 |
+
>>> from sympy.physics.quantum.spin import Rotation
|
| 594 |
+
>>> from sympy import pi, symbols
|
| 595 |
+
>>> beta = symbols('beta')
|
| 596 |
+
>>> Rotation.d(1, 1, 0, pi/2)
|
| 597 |
+
WignerD(1, 1, 0, 0, pi/2, 0)
|
| 598 |
+
|
| 599 |
+
See Also
|
| 600 |
+
========
|
| 601 |
+
|
| 602 |
+
WignerD: Symbolic Wigner-D function
|
| 603 |
+
|
| 604 |
+
"""
|
| 605 |
+
return WignerD(j, m, mp, 0, beta, 0)
|
| 606 |
+
|
| 607 |
+
def matrix_element(self, j, m, jp, mp):
|
| 608 |
+
result = self.__class__.D(
|
| 609 |
+
jp, m, mp, self.alpha, self.beta, self.gamma
|
| 610 |
+
)
|
| 611 |
+
result *= KroneckerDelta(j, jp)
|
| 612 |
+
return result
|
| 613 |
+
|
| 614 |
+
def _represent_base(self, basis, **options):
|
| 615 |
+
j = sympify(options.get('j', S.Half))
|
| 616 |
+
# TODO: move evaluation up to represent function/implement elsewhere
|
| 617 |
+
evaluate = sympify(options.get('doit'))
|
| 618 |
+
size, mvals = m_values(j)
|
| 619 |
+
result = zeros(size, size)
|
| 620 |
+
for p in range(size):
|
| 621 |
+
for q in range(size):
|
| 622 |
+
me = self.matrix_element(j, mvals[p], j, mvals[q])
|
| 623 |
+
if evaluate:
|
| 624 |
+
result[p, q] = me.doit()
|
| 625 |
+
else:
|
| 626 |
+
result[p, q] = me
|
| 627 |
+
return result
|
| 628 |
+
|
| 629 |
+
def _represent_default_basis(self, **options):
|
| 630 |
+
return self._represent_JzOp(None, **options)
|
| 631 |
+
|
| 632 |
+
def _represent_JzOp(self, basis, **options):
|
| 633 |
+
return self._represent_base(basis, **options)
|
| 634 |
+
|
| 635 |
+
def _apply_operator_uncoupled(self, state, ket, *, dummy=True, **options):
|
| 636 |
+
a = self.alpha
|
| 637 |
+
b = self.beta
|
| 638 |
+
g = self.gamma
|
| 639 |
+
j = ket.j
|
| 640 |
+
m = ket.m
|
| 641 |
+
if j.is_number:
|
| 642 |
+
s = []
|
| 643 |
+
size = m_values(j)
|
| 644 |
+
sz = size[1]
|
| 645 |
+
for mp in sz:
|
| 646 |
+
r = Rotation.D(j, m, mp, a, b, g)
|
| 647 |
+
z = r.doit()
|
| 648 |
+
s.append(z*state(j, mp))
|
| 649 |
+
return Add(*s)
|
| 650 |
+
else:
|
| 651 |
+
if dummy:
|
| 652 |
+
mp = Dummy('mp')
|
| 653 |
+
else:
|
| 654 |
+
mp = symbols('mp')
|
| 655 |
+
return Sum(Rotation.D(j, m, mp, a, b, g)*state(j, mp), (mp, -j, j))
|
| 656 |
+
|
| 657 |
+
def _apply_operator_JxKet(self, ket, **options):
|
| 658 |
+
return self._apply_operator_uncoupled(JxKet, ket, **options)
|
| 659 |
+
|
| 660 |
+
def _apply_operator_JyKet(self, ket, **options):
|
| 661 |
+
return self._apply_operator_uncoupled(JyKet, ket, **options)
|
| 662 |
+
|
| 663 |
+
def _apply_operator_JzKet(self, ket, **options):
|
| 664 |
+
return self._apply_operator_uncoupled(JzKet, ket, **options)
|
| 665 |
+
|
| 666 |
+
def _apply_operator_coupled(self, state, ket, *, dummy=True, **options):
|
| 667 |
+
a = self.alpha
|
| 668 |
+
b = self.beta
|
| 669 |
+
g = self.gamma
|
| 670 |
+
j = ket.j
|
| 671 |
+
m = ket.m
|
| 672 |
+
jn = ket.jn
|
| 673 |
+
coupling = ket.coupling
|
| 674 |
+
if j.is_number:
|
| 675 |
+
s = []
|
| 676 |
+
size = m_values(j)
|
| 677 |
+
sz = size[1]
|
| 678 |
+
for mp in sz:
|
| 679 |
+
r = Rotation.D(j, m, mp, a, b, g)
|
| 680 |
+
z = r.doit()
|
| 681 |
+
s.append(z*state(j, mp, jn, coupling))
|
| 682 |
+
return Add(*s)
|
| 683 |
+
else:
|
| 684 |
+
if dummy:
|
| 685 |
+
mp = Dummy('mp')
|
| 686 |
+
else:
|
| 687 |
+
mp = symbols('mp')
|
| 688 |
+
return Sum(Rotation.D(j, m, mp, a, b, g)*state(
|
| 689 |
+
j, mp, jn, coupling), (mp, -j, j))
|
| 690 |
+
|
| 691 |
+
def _apply_operator_JxKetCoupled(self, ket, **options):
|
| 692 |
+
return self._apply_operator_coupled(JxKetCoupled, ket, **options)
|
| 693 |
+
|
| 694 |
+
def _apply_operator_JyKetCoupled(self, ket, **options):
|
| 695 |
+
return self._apply_operator_coupled(JyKetCoupled, ket, **options)
|
| 696 |
+
|
| 697 |
+
def _apply_operator_JzKetCoupled(self, ket, **options):
|
| 698 |
+
return self._apply_operator_coupled(JzKetCoupled, ket, **options)
|
| 699 |
+
|
| 700 |
+
class WignerD(Expr):
|
| 701 |
+
r"""Wigner-D function
|
| 702 |
+
|
| 703 |
+
The Wigner D-function gives the matrix elements of the rotation
|
| 704 |
+
operator in the jm-representation. For the Euler angles `\alpha`,
|
| 705 |
+
`\beta`, `\gamma`, the D-function is defined such that:
|
| 706 |
+
|
| 707 |
+
.. math ::
|
| 708 |
+
<j,m| \mathcal{R}(\alpha, \beta, \gamma ) |j',m'> = \delta_{jj'} D(j, m, m', \alpha, \beta, \gamma)
|
| 709 |
+
|
| 710 |
+
Where the rotation operator is as defined by the Rotation class [1]_.
|
| 711 |
+
|
| 712 |
+
The Wigner D-function defined in this way gives:
|
| 713 |
+
|
| 714 |
+
.. math ::
|
| 715 |
+
D(j, m, m', \alpha, \beta, \gamma) = e^{-i m \alpha} d(j, m, m', \beta) e^{-i m' \gamma}
|
| 716 |
+
|
| 717 |
+
Where d is the Wigner small-d function, which is given by Rotation.d.
|
| 718 |
+
|
| 719 |
+
The Wigner small-d function gives the component of the Wigner
|
| 720 |
+
D-function that is determined by the second Euler angle. That is the
|
| 721 |
+
Wigner D-function is:
|
| 722 |
+
|
| 723 |
+
.. math ::
|
| 724 |
+
D(j, m, m', \alpha, \beta, \gamma) = e^{-i m \alpha} d(j, m, m', \beta) e^{-i m' \gamma}
|
| 725 |
+
|
| 726 |
+
Where d is the small-d function. The Wigner D-function is given by
|
| 727 |
+
Rotation.D.
|
| 728 |
+
|
| 729 |
+
Note that to evaluate the D-function, the j, m and mp parameters must
|
| 730 |
+
be integer or half integer numbers.
|
| 731 |
+
|
| 732 |
+
Parameters
|
| 733 |
+
==========
|
| 734 |
+
|
| 735 |
+
j : Number
|
| 736 |
+
Total angular momentum
|
| 737 |
+
m : Number
|
| 738 |
+
Eigenvalue of angular momentum along axis after rotation
|
| 739 |
+
mp : Number
|
| 740 |
+
Eigenvalue of angular momentum along rotated axis
|
| 741 |
+
alpha : Number, Symbol
|
| 742 |
+
First Euler angle of rotation
|
| 743 |
+
beta : Number, Symbol
|
| 744 |
+
Second Euler angle of rotation
|
| 745 |
+
gamma : Number, Symbol
|
| 746 |
+
Third Euler angle of rotation
|
| 747 |
+
|
| 748 |
+
Examples
|
| 749 |
+
========
|
| 750 |
+
|
| 751 |
+
Evaluate the Wigner-D matrix elements of a simple rotation:
|
| 752 |
+
|
| 753 |
+
>>> from sympy.physics.quantum.spin import Rotation
|
| 754 |
+
>>> from sympy import pi
|
| 755 |
+
>>> rot = Rotation.D(1, 1, 0, pi, pi/2, 0)
|
| 756 |
+
>>> rot
|
| 757 |
+
WignerD(1, 1, 0, pi, pi/2, 0)
|
| 758 |
+
>>> rot.doit()
|
| 759 |
+
sqrt(2)/2
|
| 760 |
+
|
| 761 |
+
Evaluate the Wigner-d matrix elements of a simple rotation
|
| 762 |
+
|
| 763 |
+
>>> rot = Rotation.d(1, 1, 0, pi/2)
|
| 764 |
+
>>> rot
|
| 765 |
+
WignerD(1, 1, 0, 0, pi/2, 0)
|
| 766 |
+
>>> rot.doit()
|
| 767 |
+
-sqrt(2)/2
|
| 768 |
+
|
| 769 |
+
See Also
|
| 770 |
+
========
|
| 771 |
+
|
| 772 |
+
Rotation: Rotation operator
|
| 773 |
+
|
| 774 |
+
References
|
| 775 |
+
==========
|
| 776 |
+
|
| 777 |
+
.. [1] Varshalovich, D A, Quantum Theory of Angular Momentum. 1988.
|
| 778 |
+
"""
|
| 779 |
+
|
| 780 |
+
is_commutative = True
|
| 781 |
+
|
| 782 |
+
def __new__(cls, *args, **hints):
|
| 783 |
+
if not len(args) == 6:
|
| 784 |
+
raise ValueError('6 parameters expected, got %s' % args)
|
| 785 |
+
args = sympify(args)
|
| 786 |
+
evaluate = hints.get('evaluate', False)
|
| 787 |
+
if evaluate:
|
| 788 |
+
return Expr.__new__(cls, *args)._eval_wignerd()
|
| 789 |
+
return Expr.__new__(cls, *args)
|
| 790 |
+
|
| 791 |
+
@property
|
| 792 |
+
def j(self):
|
| 793 |
+
return self.args[0]
|
| 794 |
+
|
| 795 |
+
@property
|
| 796 |
+
def m(self):
|
| 797 |
+
return self.args[1]
|
| 798 |
+
|
| 799 |
+
@property
|
| 800 |
+
def mp(self):
|
| 801 |
+
return self.args[2]
|
| 802 |
+
|
| 803 |
+
@property
|
| 804 |
+
def alpha(self):
|
| 805 |
+
return self.args[3]
|
| 806 |
+
|
| 807 |
+
@property
|
| 808 |
+
def beta(self):
|
| 809 |
+
return self.args[4]
|
| 810 |
+
|
| 811 |
+
@property
|
| 812 |
+
def gamma(self):
|
| 813 |
+
return self.args[5]
|
| 814 |
+
|
| 815 |
+
def _latex(self, printer, *args):
|
| 816 |
+
if self.alpha == 0 and self.gamma == 0:
|
| 817 |
+
return r'd^{%s}_{%s,%s}\left(%s\right)' % \
|
| 818 |
+
(
|
| 819 |
+
printer._print(self.j), printer._print(
|
| 820 |
+
self.m), printer._print(self.mp),
|
| 821 |
+
printer._print(self.beta) )
|
| 822 |
+
return r'D^{%s}_{%s,%s}\left(%s,%s,%s\right)' % \
|
| 823 |
+
(
|
| 824 |
+
printer._print(
|
| 825 |
+
self.j), printer._print(self.m), printer._print(self.mp),
|
| 826 |
+
printer._print(self.alpha), printer._print(self.beta), printer._print(self.gamma) )
|
| 827 |
+
|
| 828 |
+
def _pretty(self, printer, *args):
|
| 829 |
+
top = printer._print(self.j)
|
| 830 |
+
|
| 831 |
+
bot = printer._print(self.m)
|
| 832 |
+
bot = prettyForm(*bot.right(','))
|
| 833 |
+
bot = prettyForm(*bot.right(printer._print(self.mp)))
|
| 834 |
+
|
| 835 |
+
pad = max(top.width(), bot.width())
|
| 836 |
+
top = prettyForm(*top.left(' '))
|
| 837 |
+
bot = prettyForm(*bot.left(' '))
|
| 838 |
+
if pad > top.width():
|
| 839 |
+
top = prettyForm(*top.right(' '*(pad - top.width())))
|
| 840 |
+
if pad > bot.width():
|
| 841 |
+
bot = prettyForm(*bot.right(' '*(pad - bot.width())))
|
| 842 |
+
if self.alpha == 0 and self.gamma == 0:
|
| 843 |
+
args = printer._print(self.beta)
|
| 844 |
+
s = stringPict('d' + ' '*pad)
|
| 845 |
+
else:
|
| 846 |
+
args = printer._print(self.alpha)
|
| 847 |
+
args = prettyForm(*args.right(','))
|
| 848 |
+
args = prettyForm(*args.right(printer._print(self.beta)))
|
| 849 |
+
args = prettyForm(*args.right(','))
|
| 850 |
+
args = prettyForm(*args.right(printer._print(self.gamma)))
|
| 851 |
+
|
| 852 |
+
s = stringPict('D' + ' '*pad)
|
| 853 |
+
|
| 854 |
+
args = prettyForm(*args.parens())
|
| 855 |
+
s = prettyForm(*s.above(top))
|
| 856 |
+
s = prettyForm(*s.below(bot))
|
| 857 |
+
s = prettyForm(*s.right(args))
|
| 858 |
+
return s
|
| 859 |
+
|
| 860 |
+
def doit(self, **hints):
|
| 861 |
+
hints['evaluate'] = True
|
| 862 |
+
return WignerD(*self.args, **hints)
|
| 863 |
+
|
| 864 |
+
def _eval_wignerd(self):
|
| 865 |
+
j = self.j
|
| 866 |
+
m = self.m
|
| 867 |
+
mp = self.mp
|
| 868 |
+
alpha = self.alpha
|
| 869 |
+
beta = self.beta
|
| 870 |
+
gamma = self.gamma
|
| 871 |
+
if alpha == 0 and beta == 0 and gamma == 0:
|
| 872 |
+
return KroneckerDelta(m, mp)
|
| 873 |
+
if not j.is_number:
|
| 874 |
+
raise ValueError(
|
| 875 |
+
'j parameter must be numerical to evaluate, got %s' % j)
|
| 876 |
+
r = 0
|
| 877 |
+
if beta == pi/2:
|
| 878 |
+
# Varshalovich Equation (5), Section 4.16, page 113, setting
|
| 879 |
+
# alpha=gamma=0.
|
| 880 |
+
for k in range(2*j + 1):
|
| 881 |
+
if k > j + mp or k > j - m or k < mp - m:
|
| 882 |
+
continue
|
| 883 |
+
r += (S.NegativeOne)**k*binomial(j + mp, k)*binomial(j - mp, k + m - mp)
|
| 884 |
+
r *= (S.NegativeOne)**(m - mp) / 2**j*sqrt(factorial(j + m) *
|
| 885 |
+
factorial(j - m) / (factorial(j + mp)*factorial(j - mp)))
|
| 886 |
+
else:
|
| 887 |
+
# Varshalovich Equation(5), Section 4.7.2, page 87, where we set
|
| 888 |
+
# beta1=beta2=pi/2, and we get alpha=gamma=pi/2 and beta=phi+pi,
|
| 889 |
+
# then we use the Eq. (1), Section 4.4. page 79, to simplify:
|
| 890 |
+
# d(j, m, mp, beta+pi) = (-1)**(j-mp)*d(j, m, -mp, beta)
|
| 891 |
+
# This happens to be almost the same as in Eq.(10), Section 4.16,
|
| 892 |
+
# except that we need to substitute -mp for mp.
|
| 893 |
+
size, mvals = m_values(j)
|
| 894 |
+
for mpp in mvals:
|
| 895 |
+
r += Rotation.d(j, m, mpp, pi/2).doit()*(cos(-mpp*beta) + I*sin(-mpp*beta))*\
|
| 896 |
+
Rotation.d(j, mpp, -mp, pi/2).doit()
|
| 897 |
+
# Empirical normalization factor so results match Varshalovich
|
| 898 |
+
# Tables 4.3-4.12
|
| 899 |
+
# Note that this exact normalization does not follow from the
|
| 900 |
+
# above equations
|
| 901 |
+
r = r*I**(2*j - m - mp)*(-1)**(2*m)
|
| 902 |
+
# Finally, simplify the whole expression
|
| 903 |
+
r = simplify(r)
|
| 904 |
+
r *= exp(-I*m*alpha)*exp(-I*mp*gamma)
|
| 905 |
+
return r
|
| 906 |
+
|
| 907 |
+
|
| 908 |
+
Jx = JxOp('J')
|
| 909 |
+
Jy = JyOp('J')
|
| 910 |
+
Jz = JzOp('J')
|
| 911 |
+
J2 = J2Op('J')
|
| 912 |
+
Jplus = JplusOp('J')
|
| 913 |
+
Jminus = JminusOp('J')
|
| 914 |
+
|
| 915 |
+
|
| 916 |
+
#-----------------------------------------------------------------------------
|
| 917 |
+
# Spin States
|
| 918 |
+
#-----------------------------------------------------------------------------
|
| 919 |
+
|
| 920 |
+
|
| 921 |
+
class SpinState(State):
|
| 922 |
+
"""Base class for angular momentum states."""
|
| 923 |
+
|
| 924 |
+
_label_separator = ','
|
| 925 |
+
|
| 926 |
+
def __new__(cls, j, m):
|
| 927 |
+
j = sympify(j)
|
| 928 |
+
m = sympify(m)
|
| 929 |
+
if j.is_number:
|
| 930 |
+
if 2*j != int(2*j):
|
| 931 |
+
raise ValueError(
|
| 932 |
+
'j must be integer or half-integer, got: %s' % j)
|
| 933 |
+
if j < 0:
|
| 934 |
+
raise ValueError('j must be >= 0, got: %s' % j)
|
| 935 |
+
if m.is_number:
|
| 936 |
+
if 2*m != int(2*m):
|
| 937 |
+
raise ValueError(
|
| 938 |
+
'm must be integer or half-integer, got: %s' % m)
|
| 939 |
+
if j.is_number and m.is_number:
|
| 940 |
+
if abs(m) > j:
|
| 941 |
+
raise ValueError('Allowed values for m are -j <= m <= j, got j, m: %s, %s' % (j, m))
|
| 942 |
+
if int(j - m) != j - m:
|
| 943 |
+
raise ValueError('Both j and m must be integer or half-integer, got j, m: %s, %s' % (j, m))
|
| 944 |
+
return State.__new__(cls, j, m)
|
| 945 |
+
|
| 946 |
+
@property
|
| 947 |
+
def j(self):
|
| 948 |
+
return self.label[0]
|
| 949 |
+
|
| 950 |
+
@property
|
| 951 |
+
def m(self):
|
| 952 |
+
return self.label[1]
|
| 953 |
+
|
| 954 |
+
@classmethod
|
| 955 |
+
def _eval_hilbert_space(cls, label):
|
| 956 |
+
return ComplexSpace(2*label[0] + 1)
|
| 957 |
+
|
| 958 |
+
def _represent_base(self, **options):
|
| 959 |
+
j = self.j
|
| 960 |
+
m = self.m
|
| 961 |
+
alpha = sympify(options.get('alpha', 0))
|
| 962 |
+
beta = sympify(options.get('beta', 0))
|
| 963 |
+
gamma = sympify(options.get('gamma', 0))
|
| 964 |
+
size, mvals = m_values(j)
|
| 965 |
+
result = zeros(size, 1)
|
| 966 |
+
# breaks finding angles on L930
|
| 967 |
+
for p, mval in enumerate(mvals):
|
| 968 |
+
if m.is_number:
|
| 969 |
+
result[p, 0] = Rotation.D(
|
| 970 |
+
self.j, mval, self.m, alpha, beta, gamma).doit()
|
| 971 |
+
else:
|
| 972 |
+
result[p, 0] = Rotation.D(self.j, mval,
|
| 973 |
+
self.m, alpha, beta, gamma)
|
| 974 |
+
return result
|
| 975 |
+
|
| 976 |
+
def _eval_rewrite_as_Jx(self, *args, **options):
|
| 977 |
+
if isinstance(self, Bra):
|
| 978 |
+
return self._rewrite_basis(Jx, JxBra, **options)
|
| 979 |
+
return self._rewrite_basis(Jx, JxKet, **options)
|
| 980 |
+
|
| 981 |
+
def _eval_rewrite_as_Jy(self, *args, **options):
|
| 982 |
+
if isinstance(self, Bra):
|
| 983 |
+
return self._rewrite_basis(Jy, JyBra, **options)
|
| 984 |
+
return self._rewrite_basis(Jy, JyKet, **options)
|
| 985 |
+
|
| 986 |
+
def _eval_rewrite_as_Jz(self, *args, **options):
|
| 987 |
+
if isinstance(self, Bra):
|
| 988 |
+
return self._rewrite_basis(Jz, JzBra, **options)
|
| 989 |
+
return self._rewrite_basis(Jz, JzKet, **options)
|
| 990 |
+
|
| 991 |
+
def _rewrite_basis(self, basis, evect, **options):
|
| 992 |
+
from sympy.physics.quantum.represent import represent
|
| 993 |
+
j = self.j
|
| 994 |
+
args = self.args[2:]
|
| 995 |
+
if j.is_number:
|
| 996 |
+
if isinstance(self, CoupledSpinState):
|
| 997 |
+
if j == int(j):
|
| 998 |
+
start = j**2
|
| 999 |
+
else:
|
| 1000 |
+
start = (2*j - 1)*(2*j + 1)/4
|
| 1001 |
+
else:
|
| 1002 |
+
start = 0
|
| 1003 |
+
vect = represent(self, basis=basis, **options)
|
| 1004 |
+
result = Add(
|
| 1005 |
+
*[vect[start + i]*evect(j, j - i, *args) for i in range(2*j + 1)])
|
| 1006 |
+
if isinstance(self, CoupledSpinState) and options.get('coupled') is False:
|
| 1007 |
+
return uncouple(result)
|
| 1008 |
+
return result
|
| 1009 |
+
else:
|
| 1010 |
+
i = 0
|
| 1011 |
+
mi = symbols('mi')
|
| 1012 |
+
# make sure not to introduce a symbol already in the state
|
| 1013 |
+
while self.subs(mi, 0) != self:
|
| 1014 |
+
i += 1
|
| 1015 |
+
mi = symbols('mi%d' % i)
|
| 1016 |
+
break
|
| 1017 |
+
# TODO: better way to get angles of rotation
|
| 1018 |
+
if isinstance(self, CoupledSpinState):
|
| 1019 |
+
test_args = (0, mi, (0, 0))
|
| 1020 |
+
else:
|
| 1021 |
+
test_args = (0, mi)
|
| 1022 |
+
if isinstance(self, Ket):
|
| 1023 |
+
angles = represent(
|
| 1024 |
+
self.__class__(*test_args), basis=basis)[0].args[3:6]
|
| 1025 |
+
else:
|
| 1026 |
+
angles = represent(self.__class__(
|
| 1027 |
+
*test_args), basis=basis)[0].args[0].args[3:6]
|
| 1028 |
+
if angles == (0, 0, 0):
|
| 1029 |
+
return self
|
| 1030 |
+
else:
|
| 1031 |
+
state = evect(j, mi, *args)
|
| 1032 |
+
lt = Rotation.D(j, mi, self.m, *angles)
|
| 1033 |
+
return Sum(lt*state, (mi, -j, j))
|
| 1034 |
+
|
| 1035 |
+
def _eval_innerproduct_JxBra(self, bra, **hints):
|
| 1036 |
+
result = KroneckerDelta(self.j, bra.j)
|
| 1037 |
+
if bra.dual_class() is not self.__class__:
|
| 1038 |
+
result *= self._represent_JxOp(None)[bra.j - bra.m]
|
| 1039 |
+
else:
|
| 1040 |
+
result *= KroneckerDelta(
|
| 1041 |
+
self.j, bra.j)*KroneckerDelta(self.m, bra.m)
|
| 1042 |
+
return result
|
| 1043 |
+
|
| 1044 |
+
def _eval_innerproduct_JyBra(self, bra, **hints):
|
| 1045 |
+
result = KroneckerDelta(self.j, bra.j)
|
| 1046 |
+
if bra.dual_class() is not self.__class__:
|
| 1047 |
+
result *= self._represent_JyOp(None)[bra.j - bra.m]
|
| 1048 |
+
else:
|
| 1049 |
+
result *= KroneckerDelta(
|
| 1050 |
+
self.j, bra.j)*KroneckerDelta(self.m, bra.m)
|
| 1051 |
+
return result
|
| 1052 |
+
|
| 1053 |
+
def _eval_innerproduct_JzBra(self, bra, **hints):
|
| 1054 |
+
result = KroneckerDelta(self.j, bra.j)
|
| 1055 |
+
if bra.dual_class() is not self.__class__:
|
| 1056 |
+
result *= self._represent_JzOp(None)[bra.j - bra.m]
|
| 1057 |
+
else:
|
| 1058 |
+
result *= KroneckerDelta(
|
| 1059 |
+
self.j, bra.j)*KroneckerDelta(self.m, bra.m)
|
| 1060 |
+
return result
|
| 1061 |
+
|
| 1062 |
+
def _eval_trace(self, bra, **hints):
|
| 1063 |
+
|
| 1064 |
+
# One way to implement this method is to assume the basis set k is
|
| 1065 |
+
# passed.
|
| 1066 |
+
# Then we can apply the discrete form of Trace formula here
|
| 1067 |
+
# Tr(|i><j| ) = \Sum_k <k|i><j|k>
|
| 1068 |
+
#then we do qapply() on each each inner product and sum over them.
|
| 1069 |
+
|
| 1070 |
+
# OR
|
| 1071 |
+
|
| 1072 |
+
# Inner product of |i><j| = Trace(Outer Product).
|
| 1073 |
+
# we could just use this unless there are cases when this is not true
|
| 1074 |
+
|
| 1075 |
+
return (bra*self).doit()
|
| 1076 |
+
|
| 1077 |
+
|
| 1078 |
+
class JxKet(SpinState, Ket):
|
| 1079 |
+
"""Eigenket of Jx.
|
| 1080 |
+
|
| 1081 |
+
See JzKet for the usage of spin eigenstates.
|
| 1082 |
+
|
| 1083 |
+
See Also
|
| 1084 |
+
========
|
| 1085 |
+
|
| 1086 |
+
JzKet: Usage of spin states
|
| 1087 |
+
|
| 1088 |
+
"""
|
| 1089 |
+
|
| 1090 |
+
@classmethod
|
| 1091 |
+
def dual_class(self):
|
| 1092 |
+
return JxBra
|
| 1093 |
+
|
| 1094 |
+
@classmethod
|
| 1095 |
+
def coupled_class(self):
|
| 1096 |
+
return JxKetCoupled
|
| 1097 |
+
|
| 1098 |
+
def _represent_default_basis(self, **options):
|
| 1099 |
+
return self._represent_JxOp(None, **options)
|
| 1100 |
+
|
| 1101 |
+
def _represent_JxOp(self, basis, **options):
|
| 1102 |
+
return self._represent_base(**options)
|
| 1103 |
+
|
| 1104 |
+
def _represent_JyOp(self, basis, **options):
|
| 1105 |
+
return self._represent_base(alpha=pi*Rational(3, 2), **options)
|
| 1106 |
+
|
| 1107 |
+
def _represent_JzOp(self, basis, **options):
|
| 1108 |
+
return self._represent_base(beta=pi/2, **options)
|
| 1109 |
+
|
| 1110 |
+
|
| 1111 |
+
class JxBra(SpinState, Bra):
|
| 1112 |
+
"""Eigenbra of Jx.
|
| 1113 |
+
|
| 1114 |
+
See JzKet for the usage of spin eigenstates.
|
| 1115 |
+
|
| 1116 |
+
See Also
|
| 1117 |
+
========
|
| 1118 |
+
|
| 1119 |
+
JzKet: Usage of spin states
|
| 1120 |
+
|
| 1121 |
+
"""
|
| 1122 |
+
|
| 1123 |
+
@classmethod
|
| 1124 |
+
def dual_class(self):
|
| 1125 |
+
return JxKet
|
| 1126 |
+
|
| 1127 |
+
@classmethod
|
| 1128 |
+
def coupled_class(self):
|
| 1129 |
+
return JxBraCoupled
|
| 1130 |
+
|
| 1131 |
+
|
| 1132 |
+
class JyKet(SpinState, Ket):
|
| 1133 |
+
"""Eigenket of Jy.
|
| 1134 |
+
|
| 1135 |
+
See JzKet for the usage of spin eigenstates.
|
| 1136 |
+
|
| 1137 |
+
See Also
|
| 1138 |
+
========
|
| 1139 |
+
|
| 1140 |
+
JzKet: Usage of spin states
|
| 1141 |
+
|
| 1142 |
+
"""
|
| 1143 |
+
|
| 1144 |
+
@classmethod
|
| 1145 |
+
def dual_class(self):
|
| 1146 |
+
return JyBra
|
| 1147 |
+
|
| 1148 |
+
@classmethod
|
| 1149 |
+
def coupled_class(self):
|
| 1150 |
+
return JyKetCoupled
|
| 1151 |
+
|
| 1152 |
+
def _represent_default_basis(self, **options):
|
| 1153 |
+
return self._represent_JyOp(None, **options)
|
| 1154 |
+
|
| 1155 |
+
def _represent_JxOp(self, basis, **options):
|
| 1156 |
+
return self._represent_base(gamma=pi/2, **options)
|
| 1157 |
+
|
| 1158 |
+
def _represent_JyOp(self, basis, **options):
|
| 1159 |
+
return self._represent_base(**options)
|
| 1160 |
+
|
| 1161 |
+
def _represent_JzOp(self, basis, **options):
|
| 1162 |
+
return self._represent_base(alpha=pi*Rational(3, 2), beta=-pi/2, gamma=pi/2, **options)
|
| 1163 |
+
|
| 1164 |
+
|
| 1165 |
+
class JyBra(SpinState, Bra):
|
| 1166 |
+
"""Eigenbra of Jy.
|
| 1167 |
+
|
| 1168 |
+
See JzKet for the usage of spin eigenstates.
|
| 1169 |
+
|
| 1170 |
+
See Also
|
| 1171 |
+
========
|
| 1172 |
+
|
| 1173 |
+
JzKet: Usage of spin states
|
| 1174 |
+
|
| 1175 |
+
"""
|
| 1176 |
+
|
| 1177 |
+
@classmethod
|
| 1178 |
+
def dual_class(self):
|
| 1179 |
+
return JyKet
|
| 1180 |
+
|
| 1181 |
+
@classmethod
|
| 1182 |
+
def coupled_class(self):
|
| 1183 |
+
return JyBraCoupled
|
| 1184 |
+
|
| 1185 |
+
|
| 1186 |
+
class JzKet(SpinState, Ket):
|
| 1187 |
+
"""Eigenket of Jz.
|
| 1188 |
+
|
| 1189 |
+
Spin state which is an eigenstate of the Jz operator. Uncoupled states,
|
| 1190 |
+
that is states representing the interaction of multiple separate spin
|
| 1191 |
+
states, are defined as a tensor product of states.
|
| 1192 |
+
|
| 1193 |
+
Parameters
|
| 1194 |
+
==========
|
| 1195 |
+
|
| 1196 |
+
j : Number, Symbol
|
| 1197 |
+
Total spin angular momentum
|
| 1198 |
+
m : Number, Symbol
|
| 1199 |
+
Eigenvalue of the Jz spin operator
|
| 1200 |
+
|
| 1201 |
+
Examples
|
| 1202 |
+
========
|
| 1203 |
+
|
| 1204 |
+
*Normal States:*
|
| 1205 |
+
|
| 1206 |
+
Defining simple spin states, both numerical and symbolic:
|
| 1207 |
+
|
| 1208 |
+
>>> from sympy.physics.quantum.spin import JzKet, JxKet
|
| 1209 |
+
>>> from sympy import symbols
|
| 1210 |
+
>>> JzKet(1, 0)
|
| 1211 |
+
|1,0>
|
| 1212 |
+
>>> j, m = symbols('j m')
|
| 1213 |
+
>>> JzKet(j, m)
|
| 1214 |
+
|j,m>
|
| 1215 |
+
|
| 1216 |
+
Rewriting the JzKet in terms of eigenkets of the Jx operator:
|
| 1217 |
+
Note: that the resulting eigenstates are JxKet's
|
| 1218 |
+
|
| 1219 |
+
>>> JzKet(1,1).rewrite("Jx")
|
| 1220 |
+
|1,-1>/2 - sqrt(2)*|1,0>/2 + |1,1>/2
|
| 1221 |
+
|
| 1222 |
+
Get the vector representation of a state in terms of the basis elements
|
| 1223 |
+
of the Jx operator:
|
| 1224 |
+
|
| 1225 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 1226 |
+
>>> from sympy.physics.quantum.spin import Jx, Jz
|
| 1227 |
+
>>> represent(JzKet(1,-1), basis=Jx)
|
| 1228 |
+
Matrix([
|
| 1229 |
+
[ 1/2],
|
| 1230 |
+
[sqrt(2)/2],
|
| 1231 |
+
[ 1/2]])
|
| 1232 |
+
|
| 1233 |
+
Apply innerproducts between states:
|
| 1234 |
+
|
| 1235 |
+
>>> from sympy.physics.quantum.innerproduct import InnerProduct
|
| 1236 |
+
>>> from sympy.physics.quantum.spin import JxBra
|
| 1237 |
+
>>> i = InnerProduct(JxBra(1,1), JzKet(1,1))
|
| 1238 |
+
>>> i
|
| 1239 |
+
<1,1|1,1>
|
| 1240 |
+
>>> i.doit()
|
| 1241 |
+
1/2
|
| 1242 |
+
|
| 1243 |
+
*Uncoupled States:*
|
| 1244 |
+
|
| 1245 |
+
Define an uncoupled state as a TensorProduct between two Jz eigenkets:
|
| 1246 |
+
|
| 1247 |
+
>>> from sympy.physics.quantum.tensorproduct import TensorProduct
|
| 1248 |
+
>>> j1,m1,j2,m2 = symbols('j1 m1 j2 m2')
|
| 1249 |
+
>>> TensorProduct(JzKet(1,0), JzKet(1,1))
|
| 1250 |
+
|1,0>x|1,1>
|
| 1251 |
+
>>> TensorProduct(JzKet(j1,m1), JzKet(j2,m2))
|
| 1252 |
+
|j1,m1>x|j2,m2>
|
| 1253 |
+
|
| 1254 |
+
A TensorProduct can be rewritten, in which case the eigenstates that make
|
| 1255 |
+
up the tensor product is rewritten to the new basis:
|
| 1256 |
+
|
| 1257 |
+
>>> TensorProduct(JzKet(1,1),JxKet(1,1)).rewrite('Jz')
|
| 1258 |
+
|1,1>x|1,-1>/2 + sqrt(2)*|1,1>x|1,0>/2 + |1,1>x|1,1>/2
|
| 1259 |
+
|
| 1260 |
+
The represent method for TensorProduct's gives the vector representation of
|
| 1261 |
+
the state. Note that the state in the product basis is the equivalent of the
|
| 1262 |
+
tensor product of the vector representation of the component eigenstates:
|
| 1263 |
+
|
| 1264 |
+
>>> represent(TensorProduct(JzKet(1,0),JzKet(1,1)))
|
| 1265 |
+
Matrix([
|
| 1266 |
+
[0],
|
| 1267 |
+
[0],
|
| 1268 |
+
[0],
|
| 1269 |
+
[1],
|
| 1270 |
+
[0],
|
| 1271 |
+
[0],
|
| 1272 |
+
[0],
|
| 1273 |
+
[0],
|
| 1274 |
+
[0]])
|
| 1275 |
+
>>> represent(TensorProduct(JzKet(1,1),JxKet(1,1)), basis=Jz)
|
| 1276 |
+
Matrix([
|
| 1277 |
+
[ 1/2],
|
| 1278 |
+
[sqrt(2)/2],
|
| 1279 |
+
[ 1/2],
|
| 1280 |
+
[ 0],
|
| 1281 |
+
[ 0],
|
| 1282 |
+
[ 0],
|
| 1283 |
+
[ 0],
|
| 1284 |
+
[ 0],
|
| 1285 |
+
[ 0]])
|
| 1286 |
+
|
| 1287 |
+
See Also
|
| 1288 |
+
========
|
| 1289 |
+
|
| 1290 |
+
JzKetCoupled: Coupled eigenstates
|
| 1291 |
+
sympy.physics.quantum.tensorproduct.TensorProduct: Used to specify uncoupled states
|
| 1292 |
+
uncouple: Uncouples states given coupling parameters
|
| 1293 |
+
couple: Couples uncoupled states
|
| 1294 |
+
|
| 1295 |
+
"""
|
| 1296 |
+
|
| 1297 |
+
@classmethod
|
| 1298 |
+
def dual_class(self):
|
| 1299 |
+
return JzBra
|
| 1300 |
+
|
| 1301 |
+
@classmethod
|
| 1302 |
+
def coupled_class(self):
|
| 1303 |
+
return JzKetCoupled
|
| 1304 |
+
|
| 1305 |
+
def _represent_default_basis(self, **options):
|
| 1306 |
+
return self._represent_JzOp(None, **options)
|
| 1307 |
+
|
| 1308 |
+
def _represent_JxOp(self, basis, **options):
|
| 1309 |
+
return self._represent_base(beta=pi*Rational(3, 2), **options)
|
| 1310 |
+
|
| 1311 |
+
def _represent_JyOp(self, basis, **options):
|
| 1312 |
+
return self._represent_base(alpha=pi*Rational(3, 2), beta=pi/2, gamma=pi/2, **options)
|
| 1313 |
+
|
| 1314 |
+
def _represent_JzOp(self, basis, **options):
|
| 1315 |
+
return self._represent_base(**options)
|
| 1316 |
+
|
| 1317 |
+
|
| 1318 |
+
class JzBra(SpinState, Bra):
|
| 1319 |
+
"""Eigenbra of Jz.
|
| 1320 |
+
|
| 1321 |
+
See the JzKet for the usage of spin eigenstates.
|
| 1322 |
+
|
| 1323 |
+
See Also
|
| 1324 |
+
========
|
| 1325 |
+
|
| 1326 |
+
JzKet: Usage of spin states
|
| 1327 |
+
|
| 1328 |
+
"""
|
| 1329 |
+
|
| 1330 |
+
@classmethod
|
| 1331 |
+
def dual_class(self):
|
| 1332 |
+
return JzKet
|
| 1333 |
+
|
| 1334 |
+
@classmethod
|
| 1335 |
+
def coupled_class(self):
|
| 1336 |
+
return JzBraCoupled
|
| 1337 |
+
|
| 1338 |
+
|
| 1339 |
+
# Method used primarily to create coupled_n and coupled_jn by __new__ in
|
| 1340 |
+
# CoupledSpinState
|
| 1341 |
+
# This same method is also used by the uncouple method, and is separated from
|
| 1342 |
+
# the CoupledSpinState class to maintain consistency in defining coupling
|
| 1343 |
+
def _build_coupled(jcoupling, length):
|
| 1344 |
+
n_list = [ [n + 1] for n in range(length) ]
|
| 1345 |
+
coupled_jn = []
|
| 1346 |
+
coupled_n = []
|
| 1347 |
+
for n1, n2, j_new in jcoupling:
|
| 1348 |
+
coupled_jn.append(j_new)
|
| 1349 |
+
coupled_n.append( (n_list[n1 - 1], n_list[n2 - 1]) )
|
| 1350 |
+
n_sort = sorted(n_list[n1 - 1] + n_list[n2 - 1])
|
| 1351 |
+
n_list[n_sort[0] - 1] = n_sort
|
| 1352 |
+
return coupled_n, coupled_jn
|
| 1353 |
+
|
| 1354 |
+
|
| 1355 |
+
class CoupledSpinState(SpinState):
|
| 1356 |
+
"""Base class for coupled angular momentum states."""
|
| 1357 |
+
|
| 1358 |
+
def __new__(cls, j, m, jn, *jcoupling):
|
| 1359 |
+
# Check j and m values using SpinState
|
| 1360 |
+
SpinState(j, m)
|
| 1361 |
+
# Build and check coupling scheme from arguments
|
| 1362 |
+
if len(jcoupling) == 0:
|
| 1363 |
+
# Use default coupling scheme
|
| 1364 |
+
jcoupling = []
|
| 1365 |
+
for n in range(2, len(jn)):
|
| 1366 |
+
jcoupling.append( (1, n, Add(*[jn[i] for i in range(n)])) )
|
| 1367 |
+
jcoupling.append( (1, len(jn), j) )
|
| 1368 |
+
elif len(jcoupling) == 1:
|
| 1369 |
+
# Use specified coupling scheme
|
| 1370 |
+
jcoupling = jcoupling[0]
|
| 1371 |
+
else:
|
| 1372 |
+
raise TypeError("CoupledSpinState only takes 3 or 4 arguments, got: %s" % (len(jcoupling) + 3) )
|
| 1373 |
+
# Check arguments have correct form
|
| 1374 |
+
if not isinstance(jn, (list, tuple, Tuple)):
|
| 1375 |
+
raise TypeError('jn must be Tuple, list or tuple, got %s' %
|
| 1376 |
+
jn.__class__.__name__)
|
| 1377 |
+
if not isinstance(jcoupling, (list, tuple, Tuple)):
|
| 1378 |
+
raise TypeError('jcoupling must be Tuple, list or tuple, got %s' %
|
| 1379 |
+
jcoupling.__class__.__name__)
|
| 1380 |
+
if not all(isinstance(term, (list, tuple, Tuple)) for term in jcoupling):
|
| 1381 |
+
raise TypeError(
|
| 1382 |
+
'All elements of jcoupling must be list, tuple or Tuple')
|
| 1383 |
+
if not len(jn) - 1 == len(jcoupling):
|
| 1384 |
+
raise ValueError('jcoupling must have length of %d, got %d' %
|
| 1385 |
+
(len(jn) - 1, len(jcoupling)))
|
| 1386 |
+
if not all(len(x) == 3 for x in jcoupling):
|
| 1387 |
+
raise ValueError('All elements of jcoupling must have length 3')
|
| 1388 |
+
# Build sympified args
|
| 1389 |
+
j = sympify(j)
|
| 1390 |
+
m = sympify(m)
|
| 1391 |
+
jn = Tuple( *[sympify(ji) for ji in jn] )
|
| 1392 |
+
jcoupling = Tuple( *[Tuple(sympify(
|
| 1393 |
+
n1), sympify(n2), sympify(ji)) for (n1, n2, ji) in jcoupling] )
|
| 1394 |
+
# Check values in coupling scheme give physical state
|
| 1395 |
+
if any(2*ji != int(2*ji) for ji in jn if ji.is_number):
|
| 1396 |
+
raise ValueError('All elements of jn must be integer or half-integer, got: %s' % jn)
|
| 1397 |
+
if any(n1 != int(n1) or n2 != int(n2) for (n1, n2, _) in jcoupling):
|
| 1398 |
+
raise ValueError('Indices in jcoupling must be integers')
|
| 1399 |
+
if any(n1 < 1 or n2 < 1 or n1 > len(jn) or n2 > len(jn) for (n1, n2, _) in jcoupling):
|
| 1400 |
+
raise ValueError('Indices must be between 1 and the number of coupled spin spaces')
|
| 1401 |
+
if any(2*ji != int(2*ji) for (_, _, ji) in jcoupling if ji.is_number):
|
| 1402 |
+
raise ValueError('All coupled j values in coupling scheme must be integer or half-integer')
|
| 1403 |
+
coupled_n, coupled_jn = _build_coupled(jcoupling, len(jn))
|
| 1404 |
+
jvals = list(jn)
|
| 1405 |
+
for n, (n1, n2) in enumerate(coupled_n):
|
| 1406 |
+
j1 = jvals[min(n1) - 1]
|
| 1407 |
+
j2 = jvals[min(n2) - 1]
|
| 1408 |
+
j3 = coupled_jn[n]
|
| 1409 |
+
if sympify(j1).is_number and sympify(j2).is_number and sympify(j3).is_number:
|
| 1410 |
+
if j1 + j2 < j3:
|
| 1411 |
+
raise ValueError('All couplings must have j1+j2 >= j3, '
|
| 1412 |
+
'in coupling number %d got j1,j2,j3: %d,%d,%d' % (n + 1, j1, j2, j3))
|
| 1413 |
+
if abs(j1 - j2) > j3:
|
| 1414 |
+
raise ValueError("All couplings must have |j1+j2| <= j3, "
|
| 1415 |
+
"in coupling number %d got j1,j2,j3: %d,%d,%d" % (n + 1, j1, j2, j3))
|
| 1416 |
+
if int_valued(j1 + j2):
|
| 1417 |
+
pass
|
| 1418 |
+
jvals[min(n1 + n2) - 1] = j3
|
| 1419 |
+
if len(jcoupling) > 0 and jcoupling[-1][2] != j:
|
| 1420 |
+
raise ValueError('Last j value coupled together must be the final j of the state')
|
| 1421 |
+
# Return state
|
| 1422 |
+
return State.__new__(cls, j, m, jn, jcoupling)
|
| 1423 |
+
|
| 1424 |
+
def _print_label(self, printer, *args):
|
| 1425 |
+
label = [printer._print(self.j), printer._print(self.m)]
|
| 1426 |
+
for i, ji in enumerate(self.jn, start=1):
|
| 1427 |
+
label.append('j%d=%s' % (
|
| 1428 |
+
i, printer._print(ji)
|
| 1429 |
+
))
|
| 1430 |
+
for jn, (n1, n2) in zip(self.coupled_jn[:-1], self.coupled_n[:-1]):
|
| 1431 |
+
label.append('j(%s)=%s' % (
|
| 1432 |
+
','.join(str(i) for i in sorted(n1 + n2)), printer._print(jn)
|
| 1433 |
+
))
|
| 1434 |
+
return ','.join(label)
|
| 1435 |
+
|
| 1436 |
+
def _print_label_pretty(self, printer, *args):
|
| 1437 |
+
label = [self.j, self.m]
|
| 1438 |
+
for i, ji in enumerate(self.jn, start=1):
|
| 1439 |
+
symb = 'j%d' % i
|
| 1440 |
+
symb = pretty_symbol(symb)
|
| 1441 |
+
symb = prettyForm(symb + '=')
|
| 1442 |
+
item = prettyForm(*symb.right(printer._print(ji)))
|
| 1443 |
+
label.append(item)
|
| 1444 |
+
for jn, (n1, n2) in zip(self.coupled_jn[:-1], self.coupled_n[:-1]):
|
| 1445 |
+
n = ','.join(pretty_symbol("j%d" % i)[-1] for i in sorted(n1 + n2))
|
| 1446 |
+
symb = prettyForm('j' + n + '=')
|
| 1447 |
+
item = prettyForm(*symb.right(printer._print(jn)))
|
| 1448 |
+
label.append(item)
|
| 1449 |
+
return self._print_sequence_pretty(
|
| 1450 |
+
label, self._label_separator, printer, *args
|
| 1451 |
+
)
|
| 1452 |
+
|
| 1453 |
+
def _print_label_latex(self, printer, *args):
|
| 1454 |
+
label = [
|
| 1455 |
+
printer._print(self.j, *args),
|
| 1456 |
+
printer._print(self.m, *args)
|
| 1457 |
+
]
|
| 1458 |
+
for i, ji in enumerate(self.jn, start=1):
|
| 1459 |
+
label.append('j_{%d}=%s' % (i, printer._print(ji, *args)) )
|
| 1460 |
+
for jn, (n1, n2) in zip(self.coupled_jn[:-1], self.coupled_n[:-1]):
|
| 1461 |
+
n = ','.join(str(i) for i in sorted(n1 + n2))
|
| 1462 |
+
label.append('j_{%s}=%s' % (n, printer._print(jn, *args)) )
|
| 1463 |
+
return self._label_separator.join(label)
|
| 1464 |
+
|
| 1465 |
+
@property
|
| 1466 |
+
def jn(self):
|
| 1467 |
+
return self.label[2]
|
| 1468 |
+
|
| 1469 |
+
@property
|
| 1470 |
+
def coupling(self):
|
| 1471 |
+
return self.label[3]
|
| 1472 |
+
|
| 1473 |
+
@property
|
| 1474 |
+
def coupled_jn(self):
|
| 1475 |
+
return _build_coupled(self.label[3], len(self.label[2]))[1]
|
| 1476 |
+
|
| 1477 |
+
@property
|
| 1478 |
+
def coupled_n(self):
|
| 1479 |
+
return _build_coupled(self.label[3], len(self.label[2]))[0]
|
| 1480 |
+
|
| 1481 |
+
@classmethod
|
| 1482 |
+
def _eval_hilbert_space(cls, label):
|
| 1483 |
+
j = Add(*label[2])
|
| 1484 |
+
if j.is_number:
|
| 1485 |
+
return DirectSumHilbertSpace(*[ ComplexSpace(x) for x in range(int(2*j + 1), 0, -2) ])
|
| 1486 |
+
else:
|
| 1487 |
+
# TODO: Need hilbert space fix, see issue 5732
|
| 1488 |
+
# Desired behavior:
|
| 1489 |
+
#ji = symbols('ji')
|
| 1490 |
+
#ret = Sum(ComplexSpace(2*ji + 1), (ji, 0, j))
|
| 1491 |
+
# Temporary fix:
|
| 1492 |
+
return ComplexSpace(2*j + 1)
|
| 1493 |
+
|
| 1494 |
+
def _represent_coupled_base(self, **options):
|
| 1495 |
+
evect = self.uncoupled_class()
|
| 1496 |
+
if not self.j.is_number:
|
| 1497 |
+
raise ValueError(
|
| 1498 |
+
'State must not have symbolic j value to represent')
|
| 1499 |
+
if not self.hilbert_space.dimension.is_number:
|
| 1500 |
+
raise ValueError(
|
| 1501 |
+
'State must not have symbolic j values to represent')
|
| 1502 |
+
result = zeros(self.hilbert_space.dimension, 1)
|
| 1503 |
+
if self.j == int(self.j):
|
| 1504 |
+
start = self.j**2
|
| 1505 |
+
else:
|
| 1506 |
+
start = (2*self.j - 1)*(1 + 2*self.j)/4
|
| 1507 |
+
result[start:start + 2*self.j + 1, 0] = evect(
|
| 1508 |
+
self.j, self.m)._represent_base(**options)
|
| 1509 |
+
return result
|
| 1510 |
+
|
| 1511 |
+
def _eval_rewrite_as_Jx(self, *args, **options):
|
| 1512 |
+
if isinstance(self, Bra):
|
| 1513 |
+
return self._rewrite_basis(Jx, JxBraCoupled, **options)
|
| 1514 |
+
return self._rewrite_basis(Jx, JxKetCoupled, **options)
|
| 1515 |
+
|
| 1516 |
+
def _eval_rewrite_as_Jy(self, *args, **options):
|
| 1517 |
+
if isinstance(self, Bra):
|
| 1518 |
+
return self._rewrite_basis(Jy, JyBraCoupled, **options)
|
| 1519 |
+
return self._rewrite_basis(Jy, JyKetCoupled, **options)
|
| 1520 |
+
|
| 1521 |
+
def _eval_rewrite_as_Jz(self, *args, **options):
|
| 1522 |
+
if isinstance(self, Bra):
|
| 1523 |
+
return self._rewrite_basis(Jz, JzBraCoupled, **options)
|
| 1524 |
+
return self._rewrite_basis(Jz, JzKetCoupled, **options)
|
| 1525 |
+
|
| 1526 |
+
|
| 1527 |
+
class JxKetCoupled(CoupledSpinState, Ket):
|
| 1528 |
+
"""Coupled eigenket of Jx.
|
| 1529 |
+
|
| 1530 |
+
See JzKetCoupled for the usage of coupled spin eigenstates.
|
| 1531 |
+
|
| 1532 |
+
See Also
|
| 1533 |
+
========
|
| 1534 |
+
|
| 1535 |
+
JzKetCoupled: Usage of coupled spin states
|
| 1536 |
+
|
| 1537 |
+
"""
|
| 1538 |
+
|
| 1539 |
+
@classmethod
|
| 1540 |
+
def dual_class(self):
|
| 1541 |
+
return JxBraCoupled
|
| 1542 |
+
|
| 1543 |
+
@classmethod
|
| 1544 |
+
def uncoupled_class(self):
|
| 1545 |
+
return JxKet
|
| 1546 |
+
|
| 1547 |
+
def _represent_default_basis(self, **options):
|
| 1548 |
+
return self._represent_JzOp(None, **options)
|
| 1549 |
+
|
| 1550 |
+
def _represent_JxOp(self, basis, **options):
|
| 1551 |
+
return self._represent_coupled_base(**options)
|
| 1552 |
+
|
| 1553 |
+
def _represent_JyOp(self, basis, **options):
|
| 1554 |
+
return self._represent_coupled_base(alpha=pi*Rational(3, 2), **options)
|
| 1555 |
+
|
| 1556 |
+
def _represent_JzOp(self, basis, **options):
|
| 1557 |
+
return self._represent_coupled_base(beta=pi/2, **options)
|
| 1558 |
+
|
| 1559 |
+
|
| 1560 |
+
class JxBraCoupled(CoupledSpinState, Bra):
|
| 1561 |
+
"""Coupled eigenbra of Jx.
|
| 1562 |
+
|
| 1563 |
+
See JzKetCoupled for the usage of coupled spin eigenstates.
|
| 1564 |
+
|
| 1565 |
+
See Also
|
| 1566 |
+
========
|
| 1567 |
+
|
| 1568 |
+
JzKetCoupled: Usage of coupled spin states
|
| 1569 |
+
|
| 1570 |
+
"""
|
| 1571 |
+
|
| 1572 |
+
@classmethod
|
| 1573 |
+
def dual_class(self):
|
| 1574 |
+
return JxKetCoupled
|
| 1575 |
+
|
| 1576 |
+
@classmethod
|
| 1577 |
+
def uncoupled_class(self):
|
| 1578 |
+
return JxBra
|
| 1579 |
+
|
| 1580 |
+
|
| 1581 |
+
class JyKetCoupled(CoupledSpinState, Ket):
|
| 1582 |
+
"""Coupled eigenket of Jy.
|
| 1583 |
+
|
| 1584 |
+
See JzKetCoupled for the usage of coupled spin eigenstates.
|
| 1585 |
+
|
| 1586 |
+
See Also
|
| 1587 |
+
========
|
| 1588 |
+
|
| 1589 |
+
JzKetCoupled: Usage of coupled spin states
|
| 1590 |
+
|
| 1591 |
+
"""
|
| 1592 |
+
|
| 1593 |
+
@classmethod
|
| 1594 |
+
def dual_class(self):
|
| 1595 |
+
return JyBraCoupled
|
| 1596 |
+
|
| 1597 |
+
@classmethod
|
| 1598 |
+
def uncoupled_class(self):
|
| 1599 |
+
return JyKet
|
| 1600 |
+
|
| 1601 |
+
def _represent_default_basis(self, **options):
|
| 1602 |
+
return self._represent_JzOp(None, **options)
|
| 1603 |
+
|
| 1604 |
+
def _represent_JxOp(self, basis, **options):
|
| 1605 |
+
return self._represent_coupled_base(gamma=pi/2, **options)
|
| 1606 |
+
|
| 1607 |
+
def _represent_JyOp(self, basis, **options):
|
| 1608 |
+
return self._represent_coupled_base(**options)
|
| 1609 |
+
|
| 1610 |
+
def _represent_JzOp(self, basis, **options):
|
| 1611 |
+
return self._represent_coupled_base(alpha=pi*Rational(3, 2), beta=-pi/2, gamma=pi/2, **options)
|
| 1612 |
+
|
| 1613 |
+
|
| 1614 |
+
class JyBraCoupled(CoupledSpinState, Bra):
|
| 1615 |
+
"""Coupled eigenbra of Jy.
|
| 1616 |
+
|
| 1617 |
+
See JzKetCoupled for the usage of coupled spin eigenstates.
|
| 1618 |
+
|
| 1619 |
+
See Also
|
| 1620 |
+
========
|
| 1621 |
+
|
| 1622 |
+
JzKetCoupled: Usage of coupled spin states
|
| 1623 |
+
|
| 1624 |
+
"""
|
| 1625 |
+
|
| 1626 |
+
@classmethod
|
| 1627 |
+
def dual_class(self):
|
| 1628 |
+
return JyKetCoupled
|
| 1629 |
+
|
| 1630 |
+
@classmethod
|
| 1631 |
+
def uncoupled_class(self):
|
| 1632 |
+
return JyBra
|
| 1633 |
+
|
| 1634 |
+
|
| 1635 |
+
class JzKetCoupled(CoupledSpinState, Ket):
|
| 1636 |
+
r"""Coupled eigenket of Jz
|
| 1637 |
+
|
| 1638 |
+
Spin state that is an eigenket of Jz which represents the coupling of
|
| 1639 |
+
separate spin spaces.
|
| 1640 |
+
|
| 1641 |
+
The arguments for creating instances of JzKetCoupled are ``j``, ``m``,
|
| 1642 |
+
``jn`` and an optional ``jcoupling`` argument. The ``j`` and ``m`` options
|
| 1643 |
+
are the total angular momentum quantum numbers, as used for normal states
|
| 1644 |
+
(e.g. JzKet).
|
| 1645 |
+
|
| 1646 |
+
The other required parameter in ``jn``, which is a tuple defining the `j_n`
|
| 1647 |
+
angular momentum quantum numbers of the product spaces. So for example, if
|
| 1648 |
+
a state represented the coupling of the product basis state
|
| 1649 |
+
`\left|j_1,m_1\right\rangle\times\left|j_2,m_2\right\rangle`, the ``jn``
|
| 1650 |
+
for this state would be ``(j1,j2)``.
|
| 1651 |
+
|
| 1652 |
+
The final option is ``jcoupling``, which is used to define how the spaces
|
| 1653 |
+
specified by ``jn`` are coupled, which includes both the order these spaces
|
| 1654 |
+
are coupled together and the quantum numbers that arise from these
|
| 1655 |
+
couplings. The ``jcoupling`` parameter itself is a list of lists, such that
|
| 1656 |
+
each of the sublists defines a single coupling between the spin spaces. If
|
| 1657 |
+
there are N coupled angular momentum spaces, that is ``jn`` has N elements,
|
| 1658 |
+
then there must be N-1 sublists. Each of these sublists making up the
|
| 1659 |
+
``jcoupling`` parameter have length 3. The first two elements are the
|
| 1660 |
+
indices of the product spaces that are considered to be coupled together.
|
| 1661 |
+
For example, if we want to couple `j_1` and `j_4`, the indices would be 1
|
| 1662 |
+
and 4. If a state has already been coupled, it is referenced by the
|
| 1663 |
+
smallest index that is coupled, so if `j_2` and `j_4` has already been
|
| 1664 |
+
coupled to some `j_{24}`, then this value can be coupled by referencing it
|
| 1665 |
+
with index 2. The final element of the sublist is the quantum number of the
|
| 1666 |
+
coupled state. So putting everything together, into a valid sublist for
|
| 1667 |
+
``jcoupling``, if `j_1` and `j_2` are coupled to an angular momentum space
|
| 1668 |
+
with quantum number `j_{12}` with the value ``j12``, the sublist would be
|
| 1669 |
+
``(1,2,j12)``, N-1 of these sublists are used in the list for
|
| 1670 |
+
``jcoupling``.
|
| 1671 |
+
|
| 1672 |
+
Note the ``jcoupling`` parameter is optional, if it is not specified, the
|
| 1673 |
+
default coupling is taken. This default value is to coupled the spaces in
|
| 1674 |
+
order and take the quantum number of the coupling to be the maximum value.
|
| 1675 |
+
For example, if the spin spaces are `j_1`, `j_2`, `j_3`, `j_4`, then the
|
| 1676 |
+
default coupling couples `j_1` and `j_2` to `j_{12}=j_1+j_2`, then,
|
| 1677 |
+
`j_{12}` and `j_3` are coupled to `j_{123}=j_{12}+j_3`, and finally
|
| 1678 |
+
`j_{123}` and `j_4` to `j=j_{123}+j_4`. The jcoupling value that would
|
| 1679 |
+
correspond to this is:
|
| 1680 |
+
|
| 1681 |
+
``((1,2,j1+j2),(1,3,j1+j2+j3))``
|
| 1682 |
+
|
| 1683 |
+
Parameters
|
| 1684 |
+
==========
|
| 1685 |
+
|
| 1686 |
+
args : tuple
|
| 1687 |
+
The arguments that must be passed are ``j``, ``m``, ``jn``, and
|
| 1688 |
+
``jcoupling``. The ``j`` value is the total angular momentum. The ``m``
|
| 1689 |
+
value is the eigenvalue of the Jz spin operator. The ``jn`` list are
|
| 1690 |
+
the j values of argular momentum spaces coupled together. The
|
| 1691 |
+
``jcoupling`` parameter is an optional parameter defining how the spaces
|
| 1692 |
+
are coupled together. See the above description for how these coupling
|
| 1693 |
+
parameters are defined.
|
| 1694 |
+
|
| 1695 |
+
Examples
|
| 1696 |
+
========
|
| 1697 |
+
|
| 1698 |
+
Defining simple spin states, both numerical and symbolic:
|
| 1699 |
+
|
| 1700 |
+
>>> from sympy.physics.quantum.spin import JzKetCoupled
|
| 1701 |
+
>>> from sympy import symbols
|
| 1702 |
+
>>> JzKetCoupled(1, 0, (1, 1))
|
| 1703 |
+
|1,0,j1=1,j2=1>
|
| 1704 |
+
>>> j, m, j1, j2 = symbols('j m j1 j2')
|
| 1705 |
+
>>> JzKetCoupled(j, m, (j1, j2))
|
| 1706 |
+
|j,m,j1=j1,j2=j2>
|
| 1707 |
+
|
| 1708 |
+
Defining coupled spin states for more than 2 coupled spaces with various
|
| 1709 |
+
coupling parameters:
|
| 1710 |
+
|
| 1711 |
+
>>> JzKetCoupled(2, 1, (1, 1, 1))
|
| 1712 |
+
|2,1,j1=1,j2=1,j3=1,j(1,2)=2>
|
| 1713 |
+
>>> JzKetCoupled(2, 1, (1, 1, 1), ((1,2,2),(1,3,2)) )
|
| 1714 |
+
|2,1,j1=1,j2=1,j3=1,j(1,2)=2>
|
| 1715 |
+
>>> JzKetCoupled(2, 1, (1, 1, 1), ((2,3,1),(1,2,2)) )
|
| 1716 |
+
|2,1,j1=1,j2=1,j3=1,j(2,3)=1>
|
| 1717 |
+
|
| 1718 |
+
Rewriting the JzKetCoupled in terms of eigenkets of the Jx operator:
|
| 1719 |
+
Note: that the resulting eigenstates are JxKetCoupled
|
| 1720 |
+
|
| 1721 |
+
>>> JzKetCoupled(1,1,(1,1)).rewrite("Jx")
|
| 1722 |
+
|1,-1,j1=1,j2=1>/2 - sqrt(2)*|1,0,j1=1,j2=1>/2 + |1,1,j1=1,j2=1>/2
|
| 1723 |
+
|
| 1724 |
+
The rewrite method can be used to convert a coupled state to an uncoupled
|
| 1725 |
+
state. This is done by passing coupled=False to the rewrite function:
|
| 1726 |
+
|
| 1727 |
+
>>> JzKetCoupled(1, 0, (1, 1)).rewrite('Jz', coupled=False)
|
| 1728 |
+
-sqrt(2)*|1,-1>x|1,1>/2 + sqrt(2)*|1,1>x|1,-1>/2
|
| 1729 |
+
|
| 1730 |
+
Get the vector representation of a state in terms of the basis elements
|
| 1731 |
+
of the Jx operator:
|
| 1732 |
+
|
| 1733 |
+
>>> from sympy.physics.quantum.represent import represent
|
| 1734 |
+
>>> from sympy.physics.quantum.spin import Jx
|
| 1735 |
+
>>> from sympy import S
|
| 1736 |
+
>>> represent(JzKetCoupled(1,-1,(S(1)/2,S(1)/2)), basis=Jx)
|
| 1737 |
+
Matrix([
|
| 1738 |
+
[ 0],
|
| 1739 |
+
[ 1/2],
|
| 1740 |
+
[sqrt(2)/2],
|
| 1741 |
+
[ 1/2]])
|
| 1742 |
+
|
| 1743 |
+
See Also
|
| 1744 |
+
========
|
| 1745 |
+
|
| 1746 |
+
JzKet: Normal spin eigenstates
|
| 1747 |
+
uncouple: Uncoupling of coupling spin states
|
| 1748 |
+
couple: Coupling of uncoupled spin states
|
| 1749 |
+
|
| 1750 |
+
"""
|
| 1751 |
+
|
| 1752 |
+
@classmethod
|
| 1753 |
+
def dual_class(self):
|
| 1754 |
+
return JzBraCoupled
|
| 1755 |
+
|
| 1756 |
+
@classmethod
|
| 1757 |
+
def uncoupled_class(self):
|
| 1758 |
+
return JzKet
|
| 1759 |
+
|
| 1760 |
+
def _represent_default_basis(self, **options):
|
| 1761 |
+
return self._represent_JzOp(None, **options)
|
| 1762 |
+
|
| 1763 |
+
def _represent_JxOp(self, basis, **options):
|
| 1764 |
+
return self._represent_coupled_base(beta=pi*Rational(3, 2), **options)
|
| 1765 |
+
|
| 1766 |
+
def _represent_JyOp(self, basis, **options):
|
| 1767 |
+
return self._represent_coupled_base(alpha=pi*Rational(3, 2), beta=pi/2, gamma=pi/2, **options)
|
| 1768 |
+
|
| 1769 |
+
def _represent_JzOp(self, basis, **options):
|
| 1770 |
+
return self._represent_coupled_base(**options)
|
| 1771 |
+
|
| 1772 |
+
|
| 1773 |
+
class JzBraCoupled(CoupledSpinState, Bra):
|
| 1774 |
+
"""Coupled eigenbra of Jz.
|
| 1775 |
+
|
| 1776 |
+
See the JzKetCoupled for the usage of coupled spin eigenstates.
|
| 1777 |
+
|
| 1778 |
+
See Also
|
| 1779 |
+
========
|
| 1780 |
+
|
| 1781 |
+
JzKetCoupled: Usage of coupled spin states
|
| 1782 |
+
|
| 1783 |
+
"""
|
| 1784 |
+
|
| 1785 |
+
@classmethod
|
| 1786 |
+
def dual_class(self):
|
| 1787 |
+
return JzKetCoupled
|
| 1788 |
+
|
| 1789 |
+
@classmethod
|
| 1790 |
+
def uncoupled_class(self):
|
| 1791 |
+
return JzBra
|
| 1792 |
+
|
| 1793 |
+
#-----------------------------------------------------------------------------
|
| 1794 |
+
# Coupling/uncoupling
|
| 1795 |
+
#-----------------------------------------------------------------------------
|
| 1796 |
+
|
| 1797 |
+
|
| 1798 |
+
def couple(expr, jcoupling_list=None):
|
| 1799 |
+
""" Couple a tensor product of spin states
|
| 1800 |
+
|
| 1801 |
+
This function can be used to couple an uncoupled tensor product of spin
|
| 1802 |
+
states. All of the eigenstates to be coupled must be of the same class. It
|
| 1803 |
+
will return a linear combination of eigenstates that are subclasses of
|
| 1804 |
+
CoupledSpinState determined by Clebsch-Gordan angular momentum coupling
|
| 1805 |
+
coefficients.
|
| 1806 |
+
|
| 1807 |
+
Parameters
|
| 1808 |
+
==========
|
| 1809 |
+
|
| 1810 |
+
expr : Expr
|
| 1811 |
+
An expression involving TensorProducts of spin states to be coupled.
|
| 1812 |
+
Each state must be a subclass of SpinState and they all must be the
|
| 1813 |
+
same class.
|
| 1814 |
+
|
| 1815 |
+
jcoupling_list : list or tuple
|
| 1816 |
+
Elements of this list are sub-lists of length 2 specifying the order of
|
| 1817 |
+
the coupling of the spin spaces. The length of this must be N-1, where N
|
| 1818 |
+
is the number of states in the tensor product to be coupled. The
|
| 1819 |
+
elements of this sublist are the same as the first two elements of each
|
| 1820 |
+
sublist in the ``jcoupling`` parameter defined for JzKetCoupled. If this
|
| 1821 |
+
parameter is not specified, the default value is taken, which couples
|
| 1822 |
+
the first and second product basis spaces, then couples this new coupled
|
| 1823 |
+
space to the third product space, etc
|
| 1824 |
+
|
| 1825 |
+
Examples
|
| 1826 |
+
========
|
| 1827 |
+
|
| 1828 |
+
Couple a tensor product of numerical states for two spaces:
|
| 1829 |
+
|
| 1830 |
+
>>> from sympy.physics.quantum.spin import JzKet, couple
|
| 1831 |
+
>>> from sympy.physics.quantum.tensorproduct import TensorProduct
|
| 1832 |
+
>>> couple(TensorProduct(JzKet(1,0), JzKet(1,1)))
|
| 1833 |
+
-sqrt(2)*|1,1,j1=1,j2=1>/2 + sqrt(2)*|2,1,j1=1,j2=1>/2
|
| 1834 |
+
|
| 1835 |
+
|
| 1836 |
+
Numerical coupling of three spaces using the default coupling method, i.e.
|
| 1837 |
+
first and second spaces couple, then this couples to the third space:
|
| 1838 |
+
|
| 1839 |
+
>>> couple(TensorProduct(JzKet(1,1), JzKet(1,1), JzKet(1,0)))
|
| 1840 |
+
sqrt(6)*|2,2,j1=1,j2=1,j3=1,j(1,2)=2>/3 + sqrt(3)*|3,2,j1=1,j2=1,j3=1,j(1,2)=2>/3
|
| 1841 |
+
|
| 1842 |
+
Perform this same coupling, but we define the coupling to first couple
|
| 1843 |
+
the first and third spaces:
|
| 1844 |
+
|
| 1845 |
+
>>> couple(TensorProduct(JzKet(1,1), JzKet(1,1), JzKet(1,0)), ((1,3),(1,2)) )
|
| 1846 |
+
sqrt(2)*|2,2,j1=1,j2=1,j3=1,j(1,3)=1>/2 - sqrt(6)*|2,2,j1=1,j2=1,j3=1,j(1,3)=2>/6 + sqrt(3)*|3,2,j1=1,j2=1,j3=1,j(1,3)=2>/3
|
| 1847 |
+
|
| 1848 |
+
Couple a tensor product of symbolic states:
|
| 1849 |
+
|
| 1850 |
+
>>> from sympy import symbols
|
| 1851 |
+
>>> j1,m1,j2,m2 = symbols('j1 m1 j2 m2')
|
| 1852 |
+
>>> couple(TensorProduct(JzKet(j1,m1), JzKet(j2,m2)))
|
| 1853 |
+
Sum(CG(j1, m1, j2, m2, j, m1 + m2)*|j,m1 + m2,j1=j1,j2=j2>, (j, m1 + m2, j1 + j2))
|
| 1854 |
+
|
| 1855 |
+
"""
|
| 1856 |
+
a = expr.atoms(TensorProduct)
|
| 1857 |
+
for tp in a:
|
| 1858 |
+
# Allow other tensor products to be in expression
|
| 1859 |
+
if not all(isinstance(state, SpinState) for state in tp.args):
|
| 1860 |
+
continue
|
| 1861 |
+
# If tensor product has all spin states, raise error for invalid tensor product state
|
| 1862 |
+
if not all(state.__class__ is tp.args[0].__class__ for state in tp.args):
|
| 1863 |
+
raise TypeError('All states must be the same basis')
|
| 1864 |
+
expr = expr.subs(tp, _couple(tp, jcoupling_list))
|
| 1865 |
+
return expr
|
| 1866 |
+
|
| 1867 |
+
|
| 1868 |
+
def _couple(tp, jcoupling_list):
|
| 1869 |
+
states = tp.args
|
| 1870 |
+
coupled_evect = states[0].coupled_class()
|
| 1871 |
+
|
| 1872 |
+
# Define default coupling if none is specified
|
| 1873 |
+
if jcoupling_list is None:
|
| 1874 |
+
jcoupling_list = []
|
| 1875 |
+
for n in range(1, len(states)):
|
| 1876 |
+
jcoupling_list.append( (1, n + 1) )
|
| 1877 |
+
|
| 1878 |
+
# Check jcoupling_list valid
|
| 1879 |
+
if not len(jcoupling_list) == len(states) - 1:
|
| 1880 |
+
raise TypeError('jcoupling_list must be length %d, got %d' %
|
| 1881 |
+
(len(states) - 1, len(jcoupling_list)))
|
| 1882 |
+
if not all( len(coupling) == 2 for coupling in jcoupling_list):
|
| 1883 |
+
raise ValueError('Each coupling must define 2 spaces')
|
| 1884 |
+
if any(n1 == n2 for n1, n2 in jcoupling_list):
|
| 1885 |
+
raise ValueError('Spin spaces cannot couple to themselves')
|
| 1886 |
+
if all(sympify(n1).is_number and sympify(n2).is_number for n1, n2 in jcoupling_list):
|
| 1887 |
+
j_test = [0]*len(states)
|
| 1888 |
+
for n1, n2 in jcoupling_list:
|
| 1889 |
+
if j_test[n1 - 1] == -1 or j_test[n2 - 1] == -1:
|
| 1890 |
+
raise ValueError('Spaces coupling j_n\'s are referenced by smallest n value')
|
| 1891 |
+
j_test[max(n1, n2) - 1] = -1
|
| 1892 |
+
|
| 1893 |
+
# j values of states to be coupled together
|
| 1894 |
+
jn = [state.j for state in states]
|
| 1895 |
+
mn = [state.m for state in states]
|
| 1896 |
+
|
| 1897 |
+
# Create coupling_list, which defines all the couplings between all
|
| 1898 |
+
# the spaces from jcoupling_list
|
| 1899 |
+
coupling_list = []
|
| 1900 |
+
n_list = [ [i + 1] for i in range(len(states)) ]
|
| 1901 |
+
for j_coupling in jcoupling_list:
|
| 1902 |
+
# Least n for all j_n which is coupled as first and second spaces
|
| 1903 |
+
n1, n2 = j_coupling
|
| 1904 |
+
# List of all n's coupled in first and second spaces
|
| 1905 |
+
j1_n = list(n_list[n1 - 1])
|
| 1906 |
+
j2_n = list(n_list[n2 - 1])
|
| 1907 |
+
coupling_list.append( (j1_n, j2_n) )
|
| 1908 |
+
# Set new j_n to be coupling of all j_n in both first and second spaces
|
| 1909 |
+
n_list[ min(n1, n2) - 1 ] = sorted(j1_n + j2_n)
|
| 1910 |
+
|
| 1911 |
+
if all(state.j.is_number and state.m.is_number for state in states):
|
| 1912 |
+
# Numerical coupling
|
| 1913 |
+
# Iterate over difference between maximum possible j value of each coupling and the actual value
|
| 1914 |
+
diff_max = [ Add( *[ jn[n - 1] - mn[n - 1] for n in coupling[0] +
|
| 1915 |
+
coupling[1] ] ) for coupling in coupling_list ]
|
| 1916 |
+
result = []
|
| 1917 |
+
for diff in range(diff_max[-1] + 1):
|
| 1918 |
+
# Determine available configurations
|
| 1919 |
+
n = len(coupling_list)
|
| 1920 |
+
tot = binomial(diff + n - 1, diff)
|
| 1921 |
+
|
| 1922 |
+
for config_num in range(tot):
|
| 1923 |
+
diff_list = _confignum_to_difflist(config_num, diff, n)
|
| 1924 |
+
|
| 1925 |
+
# Skip the configuration if non-physical
|
| 1926 |
+
# This is a lazy check for physical states given the loose restrictions of diff_max
|
| 1927 |
+
if any(d > m for d, m in zip(diff_list, diff_max)):
|
| 1928 |
+
continue
|
| 1929 |
+
|
| 1930 |
+
# Determine term
|
| 1931 |
+
cg_terms = []
|
| 1932 |
+
coupled_j = list(jn)
|
| 1933 |
+
jcoupling = []
|
| 1934 |
+
for (j1_n, j2_n), coupling_diff in zip(coupling_list, diff_list):
|
| 1935 |
+
j1 = coupled_j[ min(j1_n) - 1 ]
|
| 1936 |
+
j2 = coupled_j[ min(j2_n) - 1 ]
|
| 1937 |
+
j3 = j1 + j2 - coupling_diff
|
| 1938 |
+
coupled_j[ min(j1_n + j2_n) - 1 ] = j3
|
| 1939 |
+
m1 = Add( *[ mn[x - 1] for x in j1_n] )
|
| 1940 |
+
m2 = Add( *[ mn[x - 1] for x in j2_n] )
|
| 1941 |
+
m3 = m1 + m2
|
| 1942 |
+
cg_terms.append( (j1, m1, j2, m2, j3, m3) )
|
| 1943 |
+
jcoupling.append( (min(j1_n), min(j2_n), j3) )
|
| 1944 |
+
# Better checks that state is physical
|
| 1945 |
+
if any(abs(term[5]) > term[4] for term in cg_terms):
|
| 1946 |
+
continue
|
| 1947 |
+
if any(term[0] + term[2] < term[4] for term in cg_terms):
|
| 1948 |
+
continue
|
| 1949 |
+
if any(abs(term[0] - term[2]) > term[4] for term in cg_terms):
|
| 1950 |
+
continue
|
| 1951 |
+
coeff = Mul( *[ CG(*term).doit() for term in cg_terms] )
|
| 1952 |
+
state = coupled_evect(j3, m3, jn, jcoupling)
|
| 1953 |
+
result.append(coeff*state)
|
| 1954 |
+
return Add(*result)
|
| 1955 |
+
else:
|
| 1956 |
+
# Symbolic coupling
|
| 1957 |
+
cg_terms = []
|
| 1958 |
+
jcoupling = []
|
| 1959 |
+
sum_terms = []
|
| 1960 |
+
coupled_j = list(jn)
|
| 1961 |
+
for j1_n, j2_n in coupling_list:
|
| 1962 |
+
j1 = coupled_j[ min(j1_n) - 1 ]
|
| 1963 |
+
j2 = coupled_j[ min(j2_n) - 1 ]
|
| 1964 |
+
if len(j1_n + j2_n) == len(states):
|
| 1965 |
+
j3 = symbols('j')
|
| 1966 |
+
else:
|
| 1967 |
+
j3_name = 'j' + ''.join(["%s" % n for n in j1_n + j2_n])
|
| 1968 |
+
j3 = symbols(j3_name)
|
| 1969 |
+
coupled_j[ min(j1_n + j2_n) - 1 ] = j3
|
| 1970 |
+
m1 = Add( *[ mn[x - 1] for x in j1_n] )
|
| 1971 |
+
m2 = Add( *[ mn[x - 1] for x in j2_n] )
|
| 1972 |
+
m3 = m1 + m2
|
| 1973 |
+
cg_terms.append( (j1, m1, j2, m2, j3, m3) )
|
| 1974 |
+
jcoupling.append( (min(j1_n), min(j2_n), j3) )
|
| 1975 |
+
sum_terms.append((j3, m3, j1 + j2))
|
| 1976 |
+
coeff = Mul( *[ CG(*term) for term in cg_terms] )
|
| 1977 |
+
state = coupled_evect(j3, m3, jn, jcoupling)
|
| 1978 |
+
return Sum(coeff*state, *sum_terms)
|
| 1979 |
+
|
| 1980 |
+
|
| 1981 |
+
def uncouple(expr, jn=None, jcoupling_list=None):
|
| 1982 |
+
""" Uncouple a coupled spin state
|
| 1983 |
+
|
| 1984 |
+
Gives the uncoupled representation of a coupled spin state. Arguments must
|
| 1985 |
+
be either a spin state that is a subclass of CoupledSpinState or a spin
|
| 1986 |
+
state that is a subclass of SpinState and an array giving the j values
|
| 1987 |
+
of the spaces that are to be coupled
|
| 1988 |
+
|
| 1989 |
+
Parameters
|
| 1990 |
+
==========
|
| 1991 |
+
|
| 1992 |
+
expr : Expr
|
| 1993 |
+
The expression containing states that are to be coupled. If the states
|
| 1994 |
+
are a subclass of SpinState, the ``jn`` and ``jcoupling`` parameters
|
| 1995 |
+
must be defined. If the states are a subclass of CoupledSpinState,
|
| 1996 |
+
``jn`` and ``jcoupling`` will be taken from the state.
|
| 1997 |
+
|
| 1998 |
+
jn : list or tuple
|
| 1999 |
+
The list of the j-values that are coupled. If state is a
|
| 2000 |
+
CoupledSpinState, this parameter is ignored. This must be defined if
|
| 2001 |
+
state is not a subclass of CoupledSpinState. The syntax of this
|
| 2002 |
+
parameter is the same as the ``jn`` parameter of JzKetCoupled.
|
| 2003 |
+
|
| 2004 |
+
jcoupling_list : list or tuple
|
| 2005 |
+
The list defining how the j-values are coupled together. If state is a
|
| 2006 |
+
CoupledSpinState, this parameter is ignored. This must be defined if
|
| 2007 |
+
state is not a subclass of CoupledSpinState. The syntax of this
|
| 2008 |
+
parameter is the same as the ``jcoupling`` parameter of JzKetCoupled.
|
| 2009 |
+
|
| 2010 |
+
Examples
|
| 2011 |
+
========
|
| 2012 |
+
|
| 2013 |
+
Uncouple a numerical state using a CoupledSpinState state:
|
| 2014 |
+
|
| 2015 |
+
>>> from sympy.physics.quantum.spin import JzKetCoupled, uncouple
|
| 2016 |
+
>>> from sympy import S
|
| 2017 |
+
>>> uncouple(JzKetCoupled(1, 0, (S(1)/2, S(1)/2)))
|
| 2018 |
+
sqrt(2)*|1/2,-1/2>x|1/2,1/2>/2 + sqrt(2)*|1/2,1/2>x|1/2,-1/2>/2
|
| 2019 |
+
|
| 2020 |
+
Perform the same calculation using a SpinState state:
|
| 2021 |
+
|
| 2022 |
+
>>> from sympy.physics.quantum.spin import JzKet
|
| 2023 |
+
>>> uncouple(JzKet(1, 0), (S(1)/2, S(1)/2))
|
| 2024 |
+
sqrt(2)*|1/2,-1/2>x|1/2,1/2>/2 + sqrt(2)*|1/2,1/2>x|1/2,-1/2>/2
|
| 2025 |
+
|
| 2026 |
+
Uncouple a numerical state of three coupled spaces using a CoupledSpinState state:
|
| 2027 |
+
|
| 2028 |
+
>>> uncouple(JzKetCoupled(1, 1, (1, 1, 1), ((1,3,1),(1,2,1)) ))
|
| 2029 |
+
|1,-1>x|1,1>x|1,1>/2 - |1,0>x|1,0>x|1,1>/2 + |1,1>x|1,0>x|1,0>/2 - |1,1>x|1,1>x|1,-1>/2
|
| 2030 |
+
|
| 2031 |
+
Perform the same calculation using a SpinState state:
|
| 2032 |
+
|
| 2033 |
+
>>> uncouple(JzKet(1, 1), (1, 1, 1), ((1,3,1),(1,2,1)) )
|
| 2034 |
+
|1,-1>x|1,1>x|1,1>/2 - |1,0>x|1,0>x|1,1>/2 + |1,1>x|1,0>x|1,0>/2 - |1,1>x|1,1>x|1,-1>/2
|
| 2035 |
+
|
| 2036 |
+
Uncouple a symbolic state using a CoupledSpinState state:
|
| 2037 |
+
|
| 2038 |
+
>>> from sympy import symbols
|
| 2039 |
+
>>> j,m,j1,j2 = symbols('j m j1 j2')
|
| 2040 |
+
>>> uncouple(JzKetCoupled(j, m, (j1, j2)))
|
| 2041 |
+
Sum(CG(j1, m1, j2, m2, j, m)*|j1,m1>x|j2,m2>, (m1, -j1, j1), (m2, -j2, j2))
|
| 2042 |
+
|
| 2043 |
+
Perform the same calculation using a SpinState state
|
| 2044 |
+
|
| 2045 |
+
>>> uncouple(JzKet(j, m), (j1, j2))
|
| 2046 |
+
Sum(CG(j1, m1, j2, m2, j, m)*|j1,m1>x|j2,m2>, (m1, -j1, j1), (m2, -j2, j2))
|
| 2047 |
+
|
| 2048 |
+
"""
|
| 2049 |
+
a = expr.atoms(SpinState)
|
| 2050 |
+
for state in a:
|
| 2051 |
+
expr = expr.subs(state, _uncouple(state, jn, jcoupling_list))
|
| 2052 |
+
return expr
|
| 2053 |
+
|
| 2054 |
+
|
| 2055 |
+
def _uncouple(state, jn, jcoupling_list):
|
| 2056 |
+
if isinstance(state, CoupledSpinState):
|
| 2057 |
+
jn = state.jn
|
| 2058 |
+
coupled_n = state.coupled_n
|
| 2059 |
+
coupled_jn = state.coupled_jn
|
| 2060 |
+
evect = state.uncoupled_class()
|
| 2061 |
+
elif isinstance(state, SpinState):
|
| 2062 |
+
if jn is None:
|
| 2063 |
+
raise ValueError("Must specify j-values for coupled state")
|
| 2064 |
+
if not isinstance(jn, (list, tuple)):
|
| 2065 |
+
raise TypeError("jn must be list or tuple")
|
| 2066 |
+
if jcoupling_list is None:
|
| 2067 |
+
# Use default
|
| 2068 |
+
jcoupling_list = []
|
| 2069 |
+
for i in range(1, len(jn)):
|
| 2070 |
+
jcoupling_list.append(
|
| 2071 |
+
(1, 1 + i, Add(*[jn[j] for j in range(i + 1)])) )
|
| 2072 |
+
if not isinstance(jcoupling_list, (list, tuple)):
|
| 2073 |
+
raise TypeError("jcoupling must be a list or tuple")
|
| 2074 |
+
if not len(jcoupling_list) == len(jn) - 1:
|
| 2075 |
+
raise ValueError("Must specify 2 fewer coupling terms than the number of j values")
|
| 2076 |
+
coupled_n, coupled_jn = _build_coupled(jcoupling_list, len(jn))
|
| 2077 |
+
evect = state.__class__
|
| 2078 |
+
else:
|
| 2079 |
+
raise TypeError("state must be a spin state")
|
| 2080 |
+
j = state.j
|
| 2081 |
+
m = state.m
|
| 2082 |
+
coupling_list = []
|
| 2083 |
+
j_list = list(jn)
|
| 2084 |
+
|
| 2085 |
+
# Create coupling, which defines all the couplings between all the spaces
|
| 2086 |
+
for j3, (n1, n2) in zip(coupled_jn, coupled_n):
|
| 2087 |
+
# j's which are coupled as first and second spaces
|
| 2088 |
+
j1 = j_list[n1[0] - 1]
|
| 2089 |
+
j2 = j_list[n2[0] - 1]
|
| 2090 |
+
# Build coupling list
|
| 2091 |
+
coupling_list.append( (n1, n2, j1, j2, j3) )
|
| 2092 |
+
# Set new value in j_list
|
| 2093 |
+
j_list[min(n1 + n2) - 1] = j3
|
| 2094 |
+
|
| 2095 |
+
if j.is_number and m.is_number:
|
| 2096 |
+
diff_max = [ 2*x for x in jn ]
|
| 2097 |
+
diff = Add(*jn) - m
|
| 2098 |
+
|
| 2099 |
+
n = len(jn)
|
| 2100 |
+
tot = binomial(diff + n - 1, diff)
|
| 2101 |
+
|
| 2102 |
+
result = []
|
| 2103 |
+
for config_num in range(tot):
|
| 2104 |
+
diff_list = _confignum_to_difflist(config_num, diff, n)
|
| 2105 |
+
if any(d > p for d, p in zip(diff_list, diff_max)):
|
| 2106 |
+
continue
|
| 2107 |
+
|
| 2108 |
+
cg_terms = []
|
| 2109 |
+
for coupling in coupling_list:
|
| 2110 |
+
j1_n, j2_n, j1, j2, j3 = coupling
|
| 2111 |
+
m1 = Add( *[ jn[x - 1] - diff_list[x - 1] for x in j1_n ] )
|
| 2112 |
+
m2 = Add( *[ jn[x - 1] - diff_list[x - 1] for x in j2_n ] )
|
| 2113 |
+
m3 = m1 + m2
|
| 2114 |
+
cg_terms.append( (j1, m1, j2, m2, j3, m3) )
|
| 2115 |
+
coeff = Mul( *[ CG(*term).doit() for term in cg_terms ] )
|
| 2116 |
+
state = TensorProduct(
|
| 2117 |
+
*[ evect(j, j - d) for j, d in zip(jn, diff_list) ] )
|
| 2118 |
+
result.append(coeff*state)
|
| 2119 |
+
return Add(*result)
|
| 2120 |
+
else:
|
| 2121 |
+
# Symbolic coupling
|
| 2122 |
+
m_str = "m1:%d" % (len(jn) + 1)
|
| 2123 |
+
mvals = symbols(m_str)
|
| 2124 |
+
cg_terms = [(j1, Add(*[mvals[n - 1] for n in j1_n]),
|
| 2125 |
+
j2, Add(*[mvals[n - 1] for n in j2_n]),
|
| 2126 |
+
j3, Add(*[mvals[n - 1] for n in j1_n + j2_n])) for j1_n, j2_n, j1, j2, j3 in coupling_list[:-1] ]
|
| 2127 |
+
cg_terms.append(*[(j1, Add(*[mvals[n - 1] for n in j1_n]),
|
| 2128 |
+
j2, Add(*[mvals[n - 1] for n in j2_n]),
|
| 2129 |
+
j, m) for j1_n, j2_n, j1, j2, j3 in [coupling_list[-1]] ])
|
| 2130 |
+
cg_coeff = Mul(*[CG(*cg_term) for cg_term in cg_terms])
|
| 2131 |
+
sum_terms = [ (m, -j, j) for j, m in zip(jn, mvals) ]
|
| 2132 |
+
state = TensorProduct( *[ evect(j, m) for j, m in zip(jn, mvals) ] )
|
| 2133 |
+
return Sum(cg_coeff*state, *sum_terms)
|
| 2134 |
+
|
| 2135 |
+
|
| 2136 |
+
def _confignum_to_difflist(config_num, diff, list_len):
|
| 2137 |
+
# Determines configuration of diffs into list_len number of slots
|
| 2138 |
+
diff_list = []
|
| 2139 |
+
for n in range(list_len):
|
| 2140 |
+
prev_diff = diff
|
| 2141 |
+
# Number of spots after current one
|
| 2142 |
+
rem_spots = list_len - n - 1
|
| 2143 |
+
# Number of configurations of distributing diff among the remaining spots
|
| 2144 |
+
rem_configs = binomial(diff + rem_spots - 1, diff)
|
| 2145 |
+
while config_num >= rem_configs:
|
| 2146 |
+
config_num -= rem_configs
|
| 2147 |
+
diff -= 1
|
| 2148 |
+
rem_configs = binomial(diff + rem_spots - 1, diff)
|
| 2149 |
+
diff_list.append(prev_diff - diff)
|
| 2150 |
+
return diff_list
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tensorproduct.py
ADDED
|
@@ -0,0 +1,425 @@
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|
| 1 |
+
"""Abstract tensor product."""
|
| 2 |
+
|
| 3 |
+
from sympy.core.add import Add
|
| 4 |
+
from sympy.core.expr import Expr
|
| 5 |
+
from sympy.core.mul import Mul
|
| 6 |
+
from sympy.core.power import Pow
|
| 7 |
+
from sympy.core.sympify import sympify
|
| 8 |
+
from sympy.matrices.dense import DenseMatrix as Matrix
|
| 9 |
+
from sympy.matrices.immutable import ImmutableDenseMatrix as ImmutableMatrix
|
| 10 |
+
from sympy.printing.pretty.stringpict import prettyForm
|
| 11 |
+
|
| 12 |
+
from sympy.physics.quantum.qexpr import QuantumError
|
| 13 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 14 |
+
from sympy.physics.quantum.commutator import Commutator
|
| 15 |
+
from sympy.physics.quantum.anticommutator import AntiCommutator
|
| 16 |
+
from sympy.physics.quantum.state import Ket, Bra
|
| 17 |
+
from sympy.physics.quantum.matrixutils import (
|
| 18 |
+
numpy_ndarray,
|
| 19 |
+
scipy_sparse_matrix,
|
| 20 |
+
matrix_tensor_product
|
| 21 |
+
)
|
| 22 |
+
from sympy.physics.quantum.trace import Tr
|
| 23 |
+
|
| 24 |
+
|
| 25 |
+
__all__ = [
|
| 26 |
+
'TensorProduct',
|
| 27 |
+
'tensor_product_simp'
|
| 28 |
+
]
|
| 29 |
+
|
| 30 |
+
#-----------------------------------------------------------------------------
|
| 31 |
+
# Tensor product
|
| 32 |
+
#-----------------------------------------------------------------------------
|
| 33 |
+
|
| 34 |
+
_combined_printing = False
|
| 35 |
+
|
| 36 |
+
|
| 37 |
+
def combined_tensor_printing(combined):
|
| 38 |
+
"""Set flag controlling whether tensor products of states should be
|
| 39 |
+
printed as a combined bra/ket or as an explicit tensor product of different
|
| 40 |
+
bra/kets. This is a global setting for all TensorProduct class instances.
|
| 41 |
+
|
| 42 |
+
Parameters
|
| 43 |
+
----------
|
| 44 |
+
combine : bool
|
| 45 |
+
When true, tensor product states are combined into one ket/bra, and
|
| 46 |
+
when false explicit tensor product notation is used between each
|
| 47 |
+
ket/bra.
|
| 48 |
+
"""
|
| 49 |
+
global _combined_printing
|
| 50 |
+
_combined_printing = combined
|
| 51 |
+
|
| 52 |
+
|
| 53 |
+
class TensorProduct(Expr):
|
| 54 |
+
"""The tensor product of two or more arguments.
|
| 55 |
+
|
| 56 |
+
For matrices, this uses ``matrix_tensor_product`` to compute the Kronecker
|
| 57 |
+
or tensor product matrix. For other objects a symbolic ``TensorProduct``
|
| 58 |
+
instance is returned. The tensor product is a non-commutative
|
| 59 |
+
multiplication that is used primarily with operators and states in quantum
|
| 60 |
+
mechanics.
|
| 61 |
+
|
| 62 |
+
Currently, the tensor product distinguishes between commutative and
|
| 63 |
+
non-commutative arguments. Commutative arguments are assumed to be scalars
|
| 64 |
+
and are pulled out in front of the ``TensorProduct``. Non-commutative
|
| 65 |
+
arguments remain in the resulting ``TensorProduct``.
|
| 66 |
+
|
| 67 |
+
Parameters
|
| 68 |
+
==========
|
| 69 |
+
|
| 70 |
+
args : tuple
|
| 71 |
+
A sequence of the objects to take the tensor product of.
|
| 72 |
+
|
| 73 |
+
Examples
|
| 74 |
+
========
|
| 75 |
+
|
| 76 |
+
Start with a simple tensor product of SymPy matrices::
|
| 77 |
+
|
| 78 |
+
>>> from sympy import Matrix
|
| 79 |
+
>>> from sympy.physics.quantum import TensorProduct
|
| 80 |
+
|
| 81 |
+
>>> m1 = Matrix([[1,2],[3,4]])
|
| 82 |
+
>>> m2 = Matrix([[1,0],[0,1]])
|
| 83 |
+
>>> TensorProduct(m1, m2)
|
| 84 |
+
Matrix([
|
| 85 |
+
[1, 0, 2, 0],
|
| 86 |
+
[0, 1, 0, 2],
|
| 87 |
+
[3, 0, 4, 0],
|
| 88 |
+
[0, 3, 0, 4]])
|
| 89 |
+
>>> TensorProduct(m2, m1)
|
| 90 |
+
Matrix([
|
| 91 |
+
[1, 2, 0, 0],
|
| 92 |
+
[3, 4, 0, 0],
|
| 93 |
+
[0, 0, 1, 2],
|
| 94 |
+
[0, 0, 3, 4]])
|
| 95 |
+
|
| 96 |
+
We can also construct tensor products of non-commutative symbols:
|
| 97 |
+
|
| 98 |
+
>>> from sympy import Symbol
|
| 99 |
+
>>> A = Symbol('A',commutative=False)
|
| 100 |
+
>>> B = Symbol('B',commutative=False)
|
| 101 |
+
>>> tp = TensorProduct(A, B)
|
| 102 |
+
>>> tp
|
| 103 |
+
AxB
|
| 104 |
+
|
| 105 |
+
We can take the dagger of a tensor product (note the order does NOT reverse
|
| 106 |
+
like the dagger of a normal product):
|
| 107 |
+
|
| 108 |
+
>>> from sympy.physics.quantum import Dagger
|
| 109 |
+
>>> Dagger(tp)
|
| 110 |
+
Dagger(A)xDagger(B)
|
| 111 |
+
|
| 112 |
+
Expand can be used to distribute a tensor product across addition:
|
| 113 |
+
|
| 114 |
+
>>> C = Symbol('C',commutative=False)
|
| 115 |
+
>>> tp = TensorProduct(A+B,C)
|
| 116 |
+
>>> tp
|
| 117 |
+
(A + B)xC
|
| 118 |
+
>>> tp.expand(tensorproduct=True)
|
| 119 |
+
AxC + BxC
|
| 120 |
+
"""
|
| 121 |
+
is_commutative = False
|
| 122 |
+
|
| 123 |
+
def __new__(cls, *args):
|
| 124 |
+
if isinstance(args[0], (Matrix, ImmutableMatrix, numpy_ndarray,
|
| 125 |
+
scipy_sparse_matrix)):
|
| 126 |
+
return matrix_tensor_product(*args)
|
| 127 |
+
c_part, new_args = cls.flatten(sympify(args))
|
| 128 |
+
c_part = Mul(*c_part)
|
| 129 |
+
if len(new_args) == 0:
|
| 130 |
+
return c_part
|
| 131 |
+
elif len(new_args) == 1:
|
| 132 |
+
return c_part * new_args[0]
|
| 133 |
+
else:
|
| 134 |
+
tp = Expr.__new__(cls, *new_args)
|
| 135 |
+
return c_part * tp
|
| 136 |
+
|
| 137 |
+
@classmethod
|
| 138 |
+
def flatten(cls, args):
|
| 139 |
+
# TODO: disallow nested TensorProducts.
|
| 140 |
+
c_part = []
|
| 141 |
+
nc_parts = []
|
| 142 |
+
for arg in args:
|
| 143 |
+
cp, ncp = arg.args_cnc()
|
| 144 |
+
c_part.extend(list(cp))
|
| 145 |
+
nc_parts.append(Mul._from_args(ncp))
|
| 146 |
+
return c_part, nc_parts
|
| 147 |
+
|
| 148 |
+
def _eval_adjoint(self):
|
| 149 |
+
return TensorProduct(*[Dagger(i) for i in self.args])
|
| 150 |
+
|
| 151 |
+
def _eval_rewrite(self, rule, args, **hints):
|
| 152 |
+
return TensorProduct(*args).expand(tensorproduct=True)
|
| 153 |
+
|
| 154 |
+
def _sympystr(self, printer, *args):
|
| 155 |
+
length = len(self.args)
|
| 156 |
+
s = ''
|
| 157 |
+
for i in range(length):
|
| 158 |
+
if isinstance(self.args[i], (Add, Pow, Mul)):
|
| 159 |
+
s = s + '('
|
| 160 |
+
s = s + printer._print(self.args[i])
|
| 161 |
+
if isinstance(self.args[i], (Add, Pow, Mul)):
|
| 162 |
+
s = s + ')'
|
| 163 |
+
if i != length - 1:
|
| 164 |
+
s = s + 'x'
|
| 165 |
+
return s
|
| 166 |
+
|
| 167 |
+
def _pretty(self, printer, *args):
|
| 168 |
+
|
| 169 |
+
if (_combined_printing and
|
| 170 |
+
(all(isinstance(arg, Ket) for arg in self.args) or
|
| 171 |
+
all(isinstance(arg, Bra) for arg in self.args))):
|
| 172 |
+
|
| 173 |
+
length = len(self.args)
|
| 174 |
+
pform = printer._print('', *args)
|
| 175 |
+
for i in range(length):
|
| 176 |
+
next_pform = printer._print('', *args)
|
| 177 |
+
length_i = len(self.args[i].args)
|
| 178 |
+
for j in range(length_i):
|
| 179 |
+
part_pform = printer._print(self.args[i].args[j], *args)
|
| 180 |
+
next_pform = prettyForm(*next_pform.right(part_pform))
|
| 181 |
+
if j != length_i - 1:
|
| 182 |
+
next_pform = prettyForm(*next_pform.right(', '))
|
| 183 |
+
|
| 184 |
+
if len(self.args[i].args) > 1:
|
| 185 |
+
next_pform = prettyForm(
|
| 186 |
+
*next_pform.parens(left='{', right='}'))
|
| 187 |
+
pform = prettyForm(*pform.right(next_pform))
|
| 188 |
+
if i != length - 1:
|
| 189 |
+
pform = prettyForm(*pform.right(',' + ' '))
|
| 190 |
+
|
| 191 |
+
pform = prettyForm(*pform.left(self.args[0].lbracket))
|
| 192 |
+
pform = prettyForm(*pform.right(self.args[0].rbracket))
|
| 193 |
+
return pform
|
| 194 |
+
|
| 195 |
+
length = len(self.args)
|
| 196 |
+
pform = printer._print('', *args)
|
| 197 |
+
for i in range(length):
|
| 198 |
+
next_pform = printer._print(self.args[i], *args)
|
| 199 |
+
if isinstance(self.args[i], (Add, Mul)):
|
| 200 |
+
next_pform = prettyForm(
|
| 201 |
+
*next_pform.parens(left='(', right=')')
|
| 202 |
+
)
|
| 203 |
+
pform = prettyForm(*pform.right(next_pform))
|
| 204 |
+
if i != length - 1:
|
| 205 |
+
if printer._use_unicode:
|
| 206 |
+
pform = prettyForm(*pform.right('\N{N-ARY CIRCLED TIMES OPERATOR}' + ' '))
|
| 207 |
+
else:
|
| 208 |
+
pform = prettyForm(*pform.right('x' + ' '))
|
| 209 |
+
return pform
|
| 210 |
+
|
| 211 |
+
def _latex(self, printer, *args):
|
| 212 |
+
|
| 213 |
+
if (_combined_printing and
|
| 214 |
+
(all(isinstance(arg, Ket) for arg in self.args) or
|
| 215 |
+
all(isinstance(arg, Bra) for arg in self.args))):
|
| 216 |
+
|
| 217 |
+
def _label_wrap(label, nlabels):
|
| 218 |
+
return label if nlabels == 1 else r"\left\{%s\right\}" % label
|
| 219 |
+
|
| 220 |
+
s = r", ".join([_label_wrap(arg._print_label_latex(printer, *args),
|
| 221 |
+
len(arg.args)) for arg in self.args])
|
| 222 |
+
|
| 223 |
+
return r"{%s%s%s}" % (self.args[0].lbracket_latex, s,
|
| 224 |
+
self.args[0].rbracket_latex)
|
| 225 |
+
|
| 226 |
+
length = len(self.args)
|
| 227 |
+
s = ''
|
| 228 |
+
for i in range(length):
|
| 229 |
+
if isinstance(self.args[i], (Add, Mul)):
|
| 230 |
+
s = s + '\\left('
|
| 231 |
+
# The extra {} brackets are needed to get matplotlib's latex
|
| 232 |
+
# rendered to render this properly.
|
| 233 |
+
s = s + '{' + printer._print(self.args[i], *args) + '}'
|
| 234 |
+
if isinstance(self.args[i], (Add, Mul)):
|
| 235 |
+
s = s + '\\right)'
|
| 236 |
+
if i != length - 1:
|
| 237 |
+
s = s + '\\otimes '
|
| 238 |
+
return s
|
| 239 |
+
|
| 240 |
+
def doit(self, **hints):
|
| 241 |
+
return TensorProduct(*[item.doit(**hints) for item in self.args])
|
| 242 |
+
|
| 243 |
+
def _eval_expand_tensorproduct(self, **hints):
|
| 244 |
+
"""Distribute TensorProducts across addition."""
|
| 245 |
+
args = self.args
|
| 246 |
+
add_args = []
|
| 247 |
+
for i in range(len(args)):
|
| 248 |
+
if isinstance(args[i], Add):
|
| 249 |
+
for aa in args[i].args:
|
| 250 |
+
tp = TensorProduct(*args[:i] + (aa,) + args[i + 1:])
|
| 251 |
+
c_part, nc_part = tp.args_cnc()
|
| 252 |
+
# Check for TensorProduct object: is the one object in nc_part, if any:
|
| 253 |
+
# (Note: any other object type to be expanded must be added here)
|
| 254 |
+
if len(nc_part) == 1 and isinstance(nc_part[0], TensorProduct):
|
| 255 |
+
nc_part = (nc_part[0]._eval_expand_tensorproduct(), )
|
| 256 |
+
add_args.append(Mul(*c_part)*Mul(*nc_part))
|
| 257 |
+
break
|
| 258 |
+
|
| 259 |
+
if add_args:
|
| 260 |
+
return Add(*add_args)
|
| 261 |
+
else:
|
| 262 |
+
return self
|
| 263 |
+
|
| 264 |
+
def _eval_trace(self, **kwargs):
|
| 265 |
+
indices = kwargs.get('indices', None)
|
| 266 |
+
exp = tensor_product_simp(self)
|
| 267 |
+
|
| 268 |
+
if indices is None or len(indices) == 0:
|
| 269 |
+
return Mul(*[Tr(arg).doit() for arg in exp.args])
|
| 270 |
+
else:
|
| 271 |
+
return Mul(*[Tr(value).doit() if idx in indices else value
|
| 272 |
+
for idx, value in enumerate(exp.args)])
|
| 273 |
+
|
| 274 |
+
|
| 275 |
+
def tensor_product_simp_Mul(e):
|
| 276 |
+
"""Simplify a Mul with TensorProducts.
|
| 277 |
+
|
| 278 |
+
Current the main use of this is to simplify a ``Mul`` of ``TensorProduct``s
|
| 279 |
+
to a ``TensorProduct`` of ``Muls``. It currently only works for relatively
|
| 280 |
+
simple cases where the initial ``Mul`` only has scalars and raw
|
| 281 |
+
``TensorProduct``s, not ``Add``, ``Pow``, ``Commutator``s of
|
| 282 |
+
``TensorProduct``s.
|
| 283 |
+
|
| 284 |
+
Parameters
|
| 285 |
+
==========
|
| 286 |
+
|
| 287 |
+
e : Expr
|
| 288 |
+
A ``Mul`` of ``TensorProduct``s to be simplified.
|
| 289 |
+
|
| 290 |
+
Returns
|
| 291 |
+
=======
|
| 292 |
+
|
| 293 |
+
e : Expr
|
| 294 |
+
A ``TensorProduct`` of ``Mul``s.
|
| 295 |
+
|
| 296 |
+
Examples
|
| 297 |
+
========
|
| 298 |
+
|
| 299 |
+
This is an example of the type of simplification that this function
|
| 300 |
+
performs::
|
| 301 |
+
|
| 302 |
+
>>> from sympy.physics.quantum.tensorproduct import \
|
| 303 |
+
tensor_product_simp_Mul, TensorProduct
|
| 304 |
+
>>> from sympy import Symbol
|
| 305 |
+
>>> A = Symbol('A',commutative=False)
|
| 306 |
+
>>> B = Symbol('B',commutative=False)
|
| 307 |
+
>>> C = Symbol('C',commutative=False)
|
| 308 |
+
>>> D = Symbol('D',commutative=False)
|
| 309 |
+
>>> e = TensorProduct(A,B)*TensorProduct(C,D)
|
| 310 |
+
>>> e
|
| 311 |
+
AxB*CxD
|
| 312 |
+
>>> tensor_product_simp_Mul(e)
|
| 313 |
+
(A*C)x(B*D)
|
| 314 |
+
|
| 315 |
+
"""
|
| 316 |
+
# TODO: This won't work with Muls that have other composites of
|
| 317 |
+
# TensorProducts, like an Add, Commutator, etc.
|
| 318 |
+
# TODO: This only works for the equivalent of single Qbit gates.
|
| 319 |
+
if not isinstance(e, Mul):
|
| 320 |
+
return e
|
| 321 |
+
c_part, nc_part = e.args_cnc()
|
| 322 |
+
n_nc = len(nc_part)
|
| 323 |
+
if n_nc == 0:
|
| 324 |
+
return e
|
| 325 |
+
elif n_nc == 1:
|
| 326 |
+
if isinstance(nc_part[0], Pow):
|
| 327 |
+
return Mul(*c_part) * tensor_product_simp_Pow(nc_part[0])
|
| 328 |
+
return e
|
| 329 |
+
elif e.has(TensorProduct):
|
| 330 |
+
current = nc_part[0]
|
| 331 |
+
if not isinstance(current, TensorProduct):
|
| 332 |
+
if isinstance(current, Pow):
|
| 333 |
+
if isinstance(current.base, TensorProduct):
|
| 334 |
+
current = tensor_product_simp_Pow(current)
|
| 335 |
+
else:
|
| 336 |
+
raise TypeError('TensorProduct expected, got: %r' % current)
|
| 337 |
+
n_terms = len(current.args)
|
| 338 |
+
new_args = list(current.args)
|
| 339 |
+
for next in nc_part[1:]:
|
| 340 |
+
# TODO: check the hilbert spaces of next and current here.
|
| 341 |
+
if isinstance(next, TensorProduct):
|
| 342 |
+
if n_terms != len(next.args):
|
| 343 |
+
raise QuantumError(
|
| 344 |
+
'TensorProducts of different lengths: %r and %r' %
|
| 345 |
+
(current, next)
|
| 346 |
+
)
|
| 347 |
+
for i in range(len(new_args)):
|
| 348 |
+
new_args[i] = new_args[i] * next.args[i]
|
| 349 |
+
else:
|
| 350 |
+
if isinstance(next, Pow):
|
| 351 |
+
if isinstance(next.base, TensorProduct):
|
| 352 |
+
new_tp = tensor_product_simp_Pow(next)
|
| 353 |
+
for i in range(len(new_args)):
|
| 354 |
+
new_args[i] = new_args[i] * new_tp.args[i]
|
| 355 |
+
else:
|
| 356 |
+
raise TypeError('TensorProduct expected, got: %r' % next)
|
| 357 |
+
else:
|
| 358 |
+
raise TypeError('TensorProduct expected, got: %r' % next)
|
| 359 |
+
current = next
|
| 360 |
+
return Mul(*c_part) * TensorProduct(*new_args)
|
| 361 |
+
elif e.has(Pow):
|
| 362 |
+
new_args = [ tensor_product_simp_Pow(nc) for nc in nc_part ]
|
| 363 |
+
return tensor_product_simp_Mul(Mul(*c_part) * TensorProduct(*new_args))
|
| 364 |
+
else:
|
| 365 |
+
return e
|
| 366 |
+
|
| 367 |
+
def tensor_product_simp_Pow(e):
|
| 368 |
+
"""Evaluates ``Pow`` expressions whose base is ``TensorProduct``"""
|
| 369 |
+
if not isinstance(e, Pow):
|
| 370 |
+
return e
|
| 371 |
+
|
| 372 |
+
if isinstance(e.base, TensorProduct):
|
| 373 |
+
return TensorProduct(*[ b**e.exp for b in e.base.args])
|
| 374 |
+
else:
|
| 375 |
+
return e
|
| 376 |
+
|
| 377 |
+
def tensor_product_simp(e, **hints):
|
| 378 |
+
"""Try to simplify and combine TensorProducts.
|
| 379 |
+
|
| 380 |
+
In general this will try to pull expressions inside of ``TensorProducts``.
|
| 381 |
+
It currently only works for relatively simple cases where the products have
|
| 382 |
+
only scalars, raw ``TensorProducts``, not ``Add``, ``Pow``, ``Commutators``
|
| 383 |
+
of ``TensorProducts``. It is best to see what it does by showing examples.
|
| 384 |
+
|
| 385 |
+
Examples
|
| 386 |
+
========
|
| 387 |
+
|
| 388 |
+
>>> from sympy.physics.quantum import tensor_product_simp
|
| 389 |
+
>>> from sympy.physics.quantum import TensorProduct
|
| 390 |
+
>>> from sympy import Symbol
|
| 391 |
+
>>> A = Symbol('A',commutative=False)
|
| 392 |
+
>>> B = Symbol('B',commutative=False)
|
| 393 |
+
>>> C = Symbol('C',commutative=False)
|
| 394 |
+
>>> D = Symbol('D',commutative=False)
|
| 395 |
+
|
| 396 |
+
First see what happens to products of tensor products:
|
| 397 |
+
|
| 398 |
+
>>> e = TensorProduct(A,B)*TensorProduct(C,D)
|
| 399 |
+
>>> e
|
| 400 |
+
AxB*CxD
|
| 401 |
+
>>> tensor_product_simp(e)
|
| 402 |
+
(A*C)x(B*D)
|
| 403 |
+
|
| 404 |
+
This is the core logic of this function, and it works inside, powers, sums,
|
| 405 |
+
commutators and anticommutators as well:
|
| 406 |
+
|
| 407 |
+
>>> tensor_product_simp(e**2)
|
| 408 |
+
(A*C)x(B*D)**2
|
| 409 |
+
|
| 410 |
+
"""
|
| 411 |
+
if isinstance(e, Add):
|
| 412 |
+
return Add(*[tensor_product_simp(arg) for arg in e.args])
|
| 413 |
+
elif isinstance(e, Pow):
|
| 414 |
+
if isinstance(e.base, TensorProduct):
|
| 415 |
+
return tensor_product_simp_Pow(e)
|
| 416 |
+
else:
|
| 417 |
+
return tensor_product_simp(e.base) ** e.exp
|
| 418 |
+
elif isinstance(e, Mul):
|
| 419 |
+
return tensor_product_simp_Mul(e)
|
| 420 |
+
elif isinstance(e, Commutator):
|
| 421 |
+
return Commutator(*[tensor_product_simp(arg) for arg in e.args])
|
| 422 |
+
elif isinstance(e, AntiCommutator):
|
| 423 |
+
return AntiCommutator(*[tensor_product_simp(arg) for arg in e.args])
|
| 424 |
+
else:
|
| 425 |
+
return e
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_anticommutator.cpython-310.pyc
ADDED
|
Binary file (2.34 kB). View file
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ADDED
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ADDED
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
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|
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|
|
|
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|
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|
|
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/__pycache__/test_trace.cpython-310.pyc
ADDED
|
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|
|
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_anticommutator.py
ADDED
|
@@ -0,0 +1,56 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
from sympy.core.numbers import Integer
|
| 2 |
+
from sympy.core.symbol import symbols
|
| 3 |
+
|
| 4 |
+
from sympy.physics.quantum.dagger import Dagger
|
| 5 |
+
from sympy.physics.quantum.anticommutator import AntiCommutator as AComm
|
| 6 |
+
from sympy.physics.quantum.operator import Operator
|
| 7 |
+
|
| 8 |
+
|
| 9 |
+
a, b, c = symbols('a,b,c')
|
| 10 |
+
A, B, C, D = symbols('A,B,C,D', commutative=False)
|
| 11 |
+
|
| 12 |
+
|
| 13 |
+
def test_anticommutator():
|
| 14 |
+
ac = AComm(A, B)
|
| 15 |
+
assert isinstance(ac, AComm)
|
| 16 |
+
assert ac.is_commutative is False
|
| 17 |
+
assert ac.subs(A, C) == AComm(C, B)
|
| 18 |
+
|
| 19 |
+
|
| 20 |
+
def test_commutator_identities():
|
| 21 |
+
assert AComm(a*A, b*B) == a*b*AComm(A, B)
|
| 22 |
+
assert AComm(A, A) == 2*A**2
|
| 23 |
+
assert AComm(A, B) == AComm(B, A)
|
| 24 |
+
assert AComm(a, b) == 2*a*b
|
| 25 |
+
assert AComm(A, B).doit() == A*B + B*A
|
| 26 |
+
|
| 27 |
+
|
| 28 |
+
def test_anticommutator_dagger():
|
| 29 |
+
assert Dagger(AComm(A, B)) == AComm(Dagger(A), Dagger(B))
|
| 30 |
+
|
| 31 |
+
|
| 32 |
+
class Foo(Operator):
|
| 33 |
+
|
| 34 |
+
def _eval_anticommutator_Bar(self, bar):
|
| 35 |
+
return Integer(0)
|
| 36 |
+
|
| 37 |
+
|
| 38 |
+
class Bar(Operator):
|
| 39 |
+
pass
|
| 40 |
+
|
| 41 |
+
|
| 42 |
+
class Tam(Operator):
|
| 43 |
+
|
| 44 |
+
def _eval_anticommutator_Foo(self, foo):
|
| 45 |
+
return Integer(1)
|
| 46 |
+
|
| 47 |
+
|
| 48 |
+
def test_eval_commutator():
|
| 49 |
+
F = Foo('F')
|
| 50 |
+
B = Bar('B')
|
| 51 |
+
T = Tam('T')
|
| 52 |
+
assert AComm(F, B).doit() == 0
|
| 53 |
+
assert AComm(B, F).doit() == 0
|
| 54 |
+
assert AComm(F, T).doit() == 1
|
| 55 |
+
assert AComm(T, F).doit() == 1
|
| 56 |
+
assert AComm(B, T).doit() == B*T + T*B
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_boson.py
ADDED
|
@@ -0,0 +1,50 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
from math import prod
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import Rational
|
| 4 |
+
from sympy.functions.elementary.exponential import exp
|
| 5 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 6 |
+
from sympy.physics.quantum import Dagger, Commutator, qapply
|
| 7 |
+
from sympy.physics.quantum.boson import BosonOp
|
| 8 |
+
from sympy.physics.quantum.boson import (
|
| 9 |
+
BosonFockKet, BosonFockBra, BosonCoherentKet, BosonCoherentBra)
|
| 10 |
+
|
| 11 |
+
|
| 12 |
+
def test_bosonoperator():
|
| 13 |
+
a = BosonOp('a')
|
| 14 |
+
b = BosonOp('b')
|
| 15 |
+
|
| 16 |
+
assert isinstance(a, BosonOp)
|
| 17 |
+
assert isinstance(Dagger(a), BosonOp)
|
| 18 |
+
|
| 19 |
+
assert a.is_annihilation
|
| 20 |
+
assert not Dagger(a).is_annihilation
|
| 21 |
+
|
| 22 |
+
assert BosonOp("a") == BosonOp("a", True)
|
| 23 |
+
assert BosonOp("a") != BosonOp("c")
|
| 24 |
+
assert BosonOp("a", True) != BosonOp("a", False)
|
| 25 |
+
|
| 26 |
+
assert Commutator(a, Dagger(a)).doit() == 1
|
| 27 |
+
|
| 28 |
+
assert Commutator(a, Dagger(b)).doit() == a * Dagger(b) - Dagger(b) * a
|
| 29 |
+
|
| 30 |
+
assert Dagger(exp(a)) == exp(Dagger(a))
|
| 31 |
+
|
| 32 |
+
|
| 33 |
+
def test_boson_states():
|
| 34 |
+
a = BosonOp("a")
|
| 35 |
+
|
| 36 |
+
# Fock states
|
| 37 |
+
n = 3
|
| 38 |
+
assert (BosonFockBra(0) * BosonFockKet(1)).doit() == 0
|
| 39 |
+
assert (BosonFockBra(1) * BosonFockKet(1)).doit() == 1
|
| 40 |
+
assert qapply(BosonFockBra(n) * Dagger(a)**n * BosonFockKet(0)) \
|
| 41 |
+
== sqrt(prod(range(1, n+1)))
|
| 42 |
+
|
| 43 |
+
# Coherent states
|
| 44 |
+
alpha1, alpha2 = 1.2, 4.3
|
| 45 |
+
assert (BosonCoherentBra(alpha1) * BosonCoherentKet(alpha1)).doit() == 1
|
| 46 |
+
assert (BosonCoherentBra(alpha2) * BosonCoherentKet(alpha2)).doit() == 1
|
| 47 |
+
assert abs((BosonCoherentBra(alpha1) * BosonCoherentKet(alpha2)).doit() -
|
| 48 |
+
exp((alpha1 - alpha2) ** 2 * Rational(-1, 2))) < 1e-12
|
| 49 |
+
assert qapply(a * BosonCoherentKet(alpha1)) == \
|
| 50 |
+
alpha1 * BosonCoherentKet(alpha1)
|
pllava/lib/python3.10/site-packages/sympy/physics/quantum/tests/test_cartesian.py
ADDED
|
@@ -0,0 +1,104 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Tests for cartesian.py"""
|
| 2 |
+
|
| 3 |
+
from sympy.core.numbers import (I, pi)
|
| 4 |
+
from sympy.core.singleton import S
|
| 5 |
+
from sympy.core.symbol import symbols
|
| 6 |
+
from sympy.functions.elementary.exponential import exp
|
| 7 |
+
from sympy.functions.elementary.miscellaneous import sqrt
|
| 8 |
+
from sympy.functions.special.delta_functions import DiracDelta
|
| 9 |
+
from sympy.sets.sets import Interval
|
| 10 |
+
|
| 11 |
+
from sympy.physics.quantum import qapply, represent, L2, Dagger
|
| 12 |
+
from sympy.physics.quantum import Commutator, hbar
|
| 13 |
+
from sympy.physics.quantum.cartesian import (
|
| 14 |
+
XOp, YOp, ZOp, PxOp, X, Y, Z, Px, XKet, XBra, PxKet, PxBra,
|
| 15 |
+
PositionKet3D, PositionBra3D
|
| 16 |
+
)
|
| 17 |
+
from sympy.physics.quantum.operator import DifferentialOperator
|
| 18 |
+
|
| 19 |
+
x, y, z, x_1, x_2, x_3, y_1, z_1 = symbols('x,y,z,x_1,x_2,x_3,y_1,z_1')
|
| 20 |
+
px, py, px_1, px_2 = symbols('px py px_1 px_2')
|
| 21 |
+
|
| 22 |
+
|
| 23 |
+
def test_x():
|
| 24 |
+
assert X.hilbert_space == L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 25 |
+
assert Commutator(X, Px).doit() == I*hbar
|
| 26 |
+
assert qapply(X*XKet(x)) == x*XKet(x)
|
| 27 |
+
assert XKet(x).dual_class() == XBra
|
| 28 |
+
assert XBra(x).dual_class() == XKet
|
| 29 |
+
assert (Dagger(XKet(y))*XKet(x)).doit() == DiracDelta(x - y)
|
| 30 |
+
assert (PxBra(px)*XKet(x)).doit() == \
|
| 31 |
+
exp(-I*x*px/hbar)/sqrt(2*pi*hbar)
|
| 32 |
+
assert represent(XKet(x)) == DiracDelta(x - x_1)
|
| 33 |
+
assert represent(XBra(x)) == DiracDelta(-x + x_1)
|
| 34 |
+
assert XBra(x).position == x
|
| 35 |
+
assert represent(XOp()*XKet()) == x*DiracDelta(x - x_2)
|
| 36 |
+
assert represent(XOp()*XKet()*XBra('y')) == \
|
| 37 |
+
x*DiracDelta(x - x_3)*DiracDelta(x_1 - y)
|
| 38 |
+
assert represent(XBra("y")*XKet()) == DiracDelta(x - y)
|
| 39 |
+
assert represent(
|
| 40 |
+
XKet()*XBra()) == DiracDelta(x - x_2) * DiracDelta(x_1 - x)
|
| 41 |
+
|
| 42 |
+
rep_p = represent(XOp(), basis=PxOp)
|
| 43 |
+
assert rep_p == hbar*I*DiracDelta(px_1 - px_2)*DifferentialOperator(px_1)
|
| 44 |
+
assert rep_p == represent(XOp(), basis=PxOp())
|
| 45 |
+
assert rep_p == represent(XOp(), basis=PxKet)
|
| 46 |
+
assert rep_p == represent(XOp(), basis=PxKet())
|
| 47 |
+
|
| 48 |
+
assert represent(XOp()*PxKet(), basis=PxKet) == \
|
| 49 |
+
hbar*I*DiracDelta(px - px_2)*DifferentialOperator(px)
|
| 50 |
+
|
| 51 |
+
|
| 52 |
+
def test_p():
|
| 53 |
+
assert Px.hilbert_space == L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 54 |
+
assert qapply(Px*PxKet(px)) == px*PxKet(px)
|
| 55 |
+
assert PxKet(px).dual_class() == PxBra
|
| 56 |
+
assert PxBra(x).dual_class() == PxKet
|
| 57 |
+
assert (Dagger(PxKet(py))*PxKet(px)).doit() == DiracDelta(px - py)
|
| 58 |
+
assert (XBra(x)*PxKet(px)).doit() == \
|
| 59 |
+
exp(I*x*px/hbar)/sqrt(2*pi*hbar)
|
| 60 |
+
assert represent(PxKet(px)) == DiracDelta(px - px_1)
|
| 61 |
+
|
| 62 |
+
rep_x = represent(PxOp(), basis=XOp)
|
| 63 |
+
assert rep_x == -hbar*I*DiracDelta(x_1 - x_2)*DifferentialOperator(x_1)
|
| 64 |
+
assert rep_x == represent(PxOp(), basis=XOp())
|
| 65 |
+
assert rep_x == represent(PxOp(), basis=XKet)
|
| 66 |
+
assert rep_x == represent(PxOp(), basis=XKet())
|
| 67 |
+
|
| 68 |
+
assert represent(PxOp()*XKet(), basis=XKet) == \
|
| 69 |
+
-hbar*I*DiracDelta(x - x_2)*DifferentialOperator(x)
|
| 70 |
+
assert represent(XBra("y")*PxOp()*XKet(), basis=XKet) == \
|
| 71 |
+
-hbar*I*DiracDelta(x - y)*DifferentialOperator(x)
|
| 72 |
+
|
| 73 |
+
|
| 74 |
+
def test_3dpos():
|
| 75 |
+
assert Y.hilbert_space == L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 76 |
+
assert Z.hilbert_space == L2(Interval(S.NegativeInfinity, S.Infinity))
|
| 77 |
+
|
| 78 |
+
test_ket = PositionKet3D(x, y, z)
|
| 79 |
+
assert qapply(X*test_ket) == x*test_ket
|
| 80 |
+
assert qapply(Y*test_ket) == y*test_ket
|
| 81 |
+
assert qapply(Z*test_ket) == z*test_ket
|
| 82 |
+
assert qapply(X*Y*test_ket) == x*y*test_ket
|
| 83 |
+
assert qapply(X*Y*Z*test_ket) == x*y*z*test_ket
|
| 84 |
+
assert qapply(Y*Z*test_ket) == y*z*test_ket
|
| 85 |
+
|
| 86 |
+
assert PositionKet3D() == test_ket
|
| 87 |
+
assert YOp() == Y
|
| 88 |
+
assert ZOp() == Z
|
| 89 |
+
|
| 90 |
+
assert PositionKet3D.dual_class() == PositionBra3D
|
| 91 |
+
assert PositionBra3D.dual_class() == PositionKet3D
|
| 92 |
+
|
| 93 |
+
other_ket = PositionKet3D(x_1, y_1, z_1)
|
| 94 |
+
assert (Dagger(other_ket)*test_ket).doit() == \
|
| 95 |
+
DiracDelta(x - x_1)*DiracDelta(y - y_1)*DiracDelta(z - z_1)
|
| 96 |
+
|
| 97 |
+
assert test_ket.position_x == x
|
| 98 |
+
assert test_ket.position_y == y
|
| 99 |
+
assert test_ket.position_z == z
|
| 100 |
+
assert other_ket.position_x == x_1
|
| 101 |
+
assert other_ket.position_y == y_1
|
| 102 |
+
assert other_ket.position_z == z_1
|
| 103 |
+
|
| 104 |
+
# TODO: Add tests for representations
|