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3e2ce5aeab6875a2 | GPU-Accelerated VASP
Get started today with this GPU Ready Apps Guide.
VASP (Vienna Ab Initio Simulation Package) is an application for first-principle calculations of the electronic structure on the atomic scale by approximating solutions to the Schrödinger equation. It implements standard density functional theory... |
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Chemistry LibreTexts
22.4.2: ii. Problems
• Page ID
• Q1
Suppose you are given two molecules (one is \(CH_2\) and the other is \(CH_2^-\) but you don't know which is which). Both molecules have \(C_{2v}\) symmetry. The CH bond length of molecule I is 1.121 Å and for molecule II it is 1.0... |
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Relativistic calculation of nuclear transparency in reactions
Andrea Meucci Dipartimento di Fisica Nucleare e Teorica, Università di Pavia Istituto Nazionale di Fisica Nucleare, Sezione di Pavia, Italy
December 21, 2020
Nuclear transparency in reactions is evaluated in a fully relativistic distorted wave impulse ap... |
bfa2f336004147df | Samiksha Jaiswal (Editor)
Free particle
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Free particle
In physics, a free particle is a particle that, in some sense, is not bound by an external force, or equivalently not in a region where its potential energy varies. In classical physics,... |
38b743b7e870dc59 | Five Popular Posts Of The Month
Wednesday, November 28, 2018
Killing the Schrödinger's Cat, at last and for good: part I
This Foreword was prompted by publication a new book about quantum mechanics.
I love reading Lee Smolin, but I'm not going to read this book.
In this book at first he criticizes all existing inter... |
95af7d29efcbd72f | evolution equation
An evolution equation is an equation of the form
tf=Lf \partial_t f = L f
where t\partial_t represents the partial derivative with respect to time, LL is a differential operator and ff is usually assumed to be an element of some topological vector space. Examples are the Schrödinger equation and... |
a1afd04f3be104e4 | The Full Wiki
More info on History of classical mechanics
History of classical mechanics: Quiz
Question 1: Newton and most of his contemporaries, with the notable exception of ________, hoped that classical mechanics would be able to explain all entities, including (in the form of geometric optics) light.
Christiaa... |
db0554bb642302c0 | Introduction to quantum mechanics
From Wikipedia, the free encyclopedia
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This article is a non-technical introduction to the subject. For the main encyclopedia article, see Quantum mechanics.
The word "quantum" in this sense means the minimum amount of any physical entity involved in an i... |
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Eigenvalue, eigenvector and eigenspace
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Mona Lisa with eigenvector
Fig. 1. In this shear mapping of the Mona Lisa, the picture was deformed in such a way that its central vertical axis (red vector) was not modified, but the diagonal vector (blue... |
2e90fa00bd5682ad | Readings and Lecture Notes
Lecture notes (with blanks) are provided for each lecture. Students are expected to follow along during the lecture in order to fill in the blanks in the notes.
Readings are from the required textbook:
Buy at Amazon Atkins, Peter, and Loretta Jones. Chemical Principles: The Quest for Insig... |
b1188c099529d451 | Friday, September 26, 2008
Dark black holes, dark flow, and how to avoid heat death?
Lubos made interesting comments about the calculation of black hole entropy in his blog. I have absolutely nothing to say about this branch of science as far as technicalities are considered. The formulas for blackhole entropy howeve... |
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Foresight Update 53
page 3
A publication of the Foresight Institute
11th Foresight Conference
Progress with molecular devices, machinery, and building blocks
Continuing a tradition now 14 years old, several hundred researchers from more than a dozen countries converged on the 11th Foresight Conference on Molecu... |
280517f7dfe7b5ed | Saturday, June 10, 2017
Turok's bogus criticism of Hartle-Hawking, Vilenkin calculable big bangs
In his blog post You can't smooth the big bang, Tetragraviton mentions a string group meeting at the Perimeter Institute where an anti-string pundit – who also happens to be the current director of the Perimeter Institute... |
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Chemistry LibreTexts
3.1: Introduction to the Schrödinger Equation
• Page ID
• A scientific postulate is a generally accepted statement, which is accepted because it is consistent with experimental observation and serves to predict or explain a variety of observations. These postulates also a... |
81f51ff3495bf341 | Table of contents
05 February 2020, Volume 29 Issue 2 Previous issue Next issue
TOPICAL REVIEW—High-throughput screening and design of optoelectronic materials
Designing solar-cell absorber materials through computational high-throughput screening
Xiaowei Jiang(江小蔚), Wan-Jian Yin(尹万健)
Chin. Phys... |
aabfe172b0ecec00 | Search This Blog
Friday, August 17, 2012
Aether Action
It is really unfortunate over my forty year sojourn with science that mainstream science has not yet united charge and gravity forces. If you do not know what unification means, do not worry because there are explanations galore for the proposition of charge and... |
b4c230835da8d215 | Quantum mechanics
Quantum mechanics is the theory of what happens at very small dimensions, on the order of 10-30 meters or less! It is therefore the theory which must be used in order to understand atoms and elementary particles.
According to quantum mechanics, what is “out there” is a vast amount of space – not an... |
31f70718597a4530 | Light and Molecules
Mario Barbatti's Research Group
Methods for nonadiabatic dynamics
Nonadiabatic dynamics
When a molecule absorbs a photon in the UV or visible range, the energy goes to its electrons, whose configuration is changed in comparison to the ground state electronic density. The probability of absorbing... |
248fcf17d782f070 | Physicists turn back time – a bit
“Man! If only I could turn back time!” According to an article in the science magazine Scientific Reports, physicists have apparently succeeded in doing just that – at least in the quantum realm and with very small particles. However, it’s still impossible to manipulate the wheel of t... |
0ba28e1686a48290 | • by Arpan Dey
The main objective of the present paper is to investigate the de Broglie relation [1] and determine its consequences on the time-independent Schrödinger equation [2], and whether the results are valid in terms of accommodating relativistic corrections in the Schrödinger equation. The de Broglie relatio... |
5f85262479fb66b7 | Friday, September 27, 2019
The Trouble with Many Worlds
Today I want to talk about the many worlds interpretation of quantum mechanics and explain why I do not think it is a complete theory.
But first, a brief summary of what the many worlds interpretation says. In quantum mechanics, every system is described by a w... |
938d8629b12a1ed8 | Fun with Chlorine
Hi guys and gals, it’s been awhile since my last entry. Last week kept me very busy. In the midst of my late nights typing, I learned some fun things about chloride channels (for one of PZ’s exams.) I learned about their job of regulating cell volume and an appropriate cell-membrane charge.
One thin... |
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Linear and nonlinear waves - Scholarpedia
Linear and nonlinear waves
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Graham W Griffiths and William E. Schiesser (2009), Scholarpedia, 4(7):4308. doi:10.4249/scholarpedia.4308 revision #154... |
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Mortimer Adler
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Alexander of Aphrodisias
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William Alston
Louise Antony
Thomas Aquinas
David Armstrong
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Robert Audi
Alexander Bain
Mark Balaguer
Jeffrey Barrett
William Barrett
William Belsham
Henri Bergson... |
332f2fbce694f5bf | Thursday, April 25, 2019
Yes, scientific theories have to be falsifiable. Why do we even have to talk about this?
The task of scientists is to find useful descriptions for our observations. By useful I mean that the descriptions are either predictive or explain data already collected. An explanation is anything that ... |
72fe190da7b401c6 | Thursday, March 21, 2019
actual infinite falling (all-)together &/or chaosmos COLLAPSE
Musée d'Orsay/January 2018 (for more A/Z photography see portfolio here);
Clara Colosimo in Fellini's Prova d'orchestra;
Arquipélago dos Pombos Correios (o soverdouro);
The great abyss inframince (by A/Z, for more see here);
"... ... |
2f79cf7e094c4465 | The UN is Hopeless
Little hurts more than losing long held and strongly felt hopes, such as the hopes most people have for their children and grandchildren. But there comes a time in such despair when, to go on living, the anguished must reject such hopes, replacing them with new hopes, held with less idealism and mor... |
8aaf6b0607eaae68 | Theoretical Foundations of the Models Implemented in LUMPAC
Process of Geometry Optimization
The potential energy surface (PES) consists of a surface of the calculated energy () as a function of the geometric parameters of a molecule (q), , where n is the number of geometric parameters. A steady point in the PES is ... |
f30c83f708b4d0fe | Schrödinger cat
For in the end I have relocated to write and in fact, this will be completed if the machine becomes me to hang. Let that maybe it pilláis in the process so excuse me in advance.
Anyway, I wanted to talk about something that many have spoken before and so I doubt me tell you something you do not know a... |
92c70f1d97eecdd6 | Monday, February 12, 2018
Black Holes and Information
Black holes, with their extreme gravity and ability to profoundly warp space and time, are some of the most interesting objects in the universe. However, in at least one precisely defined way, they are also the least interesting.
According to general relativity, ... |
249042a4bc09d2a6 | Graphene: Status and Prospects
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Science 19 Jun 2009:
Vol. 324, Issue 5934, pp. 1530-1534
DOI: 10.1126/science.1158877
Graphene research has developed at a truly relentless pace. Several papers appear every day, and, if the bibliometrics predictions (1) are to be trusted, the am... |
b94777842b513759 | Difference between revisions of "Introduction"
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== Align - ALIGNment generation and analysis ==
== ALIGNment generation and analysis (Align) ==
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The Victor2.0 library (Virtual Cons... |
77b696725cd206b3 | Friday, January 6, 2017
The Trouble with Quantum Mechanics
Steven Weinberg writes The Trouble with Quantum Mechanics in the NY Review of Books:
Probability enters Newtonian physics only when our knowledge is imperfect, ...
The introduction of probability into the principles of physics was disturbing to past physi... |
fab79bbddf938713 | Quantum mechanics
Quantum mechanics is the theory of what happens at very small dimensions, on the order of 10-30 meters or less! It is therefore the theory which must be used in order to understand atoms and elementary particles.
According to quantum mechanics, what is “out there” is a vast amount of space – not an... |
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Dense Atomic Vapors
Steve Cundiff studies the behavior of dense atomic vapors at temperatures ranging from 300–800 °C. In his group’s initial experiments, researchers directed two or three excitation laser pulses into dense vapors of potassium atoms (39K). The group used a reflectio... |
598060e7b10e8fbf | Born–Oppenheimer approximation
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In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the assumption that the motion of atomic nuclei and electrons in a molecule c... |
5c6695e1c809f7f4 | Symmetry and Integrability of Equations of Mathematical Physics − 2011
Yuri Karadzhov (Institute of Mathematics of NAS of Ukraine, Kyiv, Ukraine)
Matrix Superpotentials
The classification of matrix-valued shape-invariant super potentials which give rise to new exactly solvable systems of Schrödinger equations is pre... |
e90c94fee94efcc5 | Quantum Mechanics
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This is a topic from Higher Physics 1B
Quantum mechanics is the branch of physics dealing with physical phenomena at microscopic scales, particularly with notions of probability.
Probability in Matter
• Considering light as particles (photons)... |
98b66d5b130b9411 | Parikshit Upadhyaya: The Eigenvector-Dependent Nonlinear Eigenvalue Problem
Time: Fri 2018-06-15 13.15 - 14.15
Lecturer: Parikshit Upadhyaya , KTH
Many numerical methods geared towards solving the Schrödinger equation eventually have to solve a nonlinear eigenvalue problem where the nonlinearity is present due to t... |
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Mortimer Adler
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Alexander of Aphrodisias
Samuel Alexander
William Alston
Louise Antony
Thomas Aquinas
David Armstrong
Harald Atmanspacher
Robert Audi
Alexander Bain
Mark Balaguer
Jeffrey Barrett
William Belsham
Henri Bergson
George Berkeley... |
db8244398321180e | Scattering and tunnelling
Scattering and tunnelling
Free course
Scattering and tunnelling
Session 1
Scattering is a process in which incident particles interact with a target and are changed in nature, number, speed or direction of motion as a result. Tunnelling is a quantum phenomenon in which particles that are... |
8913e5cb1aaf4a58 | Réunion d'été SMC 2010
Stabilité pour les équations aux dérivées partielles nonlinéaires
Org: Stephen Gustafson (UBC) et Dmitry Pelinovsky (McMaster)
BERNARDO GALVAO-SOUSA, McMaster University, 1280 Main St. W, Hamilton, ON, L8S 4L8
Thin Film Limits for Ginzburg-Landau with Strong Applied Magnetic Fields
We study th... |
8c509f865b1ab6f5 | Sunday, August 9, 2015
A very brief introduction to the electron correlation energy
RHF is often not accurate enough for predicting the change in energies due to a chemical reaction, no matter how big a basis set we use. The reason is the error due to the molecular orbital approximation
and the energy difference due... |
f1cd7ac659fae42c | next up previous contents
Next: One-Electron Methods Up: Introduction Previous: Introduction
The Many-Electron Problem
Within the Born-Oppenheimer approximation[4], the time independent Schrödinger equation for a fully interacting many-electron system is
where tex2html_wrap_inline5833 is the N-electron wavefunction... |
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I remember from introductory Quantum Mechanics, that hydrogen atom is one of those systems that we can solve without too much ( embarrassing ) approximations.
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d7e5585934370b61 | Two potential quark models for double heavy baryons
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Baryons containing two heavy quarks (QQ′q) are treated in the Born-Oppenheimer approximation. Two non-relativistic potential models are proposed, in which the Schrödin... |
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Chemical dynamics, in principle, should be understood by solving the time-dependent Schrödinger equation for a molecular system, describing motion of the nuclei and ele... |
7f37749147531570 | Nanostructural problem-solvers
December 2009
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Computation ferrets out emergent behaviors of novel materials built from tiny blocks.
The preeminent physicist-futurist Richard Feynman famously declared in a 1959 address to the American Physical Society that “there’s plenty of room at the b... |
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Droplets and pilot waves vs quantum mechanics
I've been overwhelmed by the sheer amount of idiocy about quantum mechanics that we may encounter in the would-be scientific mainstream media. A new wave of nonsense claiming that someone overthrew q... |
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Rotational excitations in two-color photoassociation
Jisha Hazra and Bimalendu Deb Department of Materials Science, and Raman Center for Atomic, Molecular and Optical Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.
We show that it is possible to excite higher rotational... |
3821ac027e66b318 | Physics 55100
Introductory material: 2-slit experiment, matter waves and addition of amplitudes–superposition principle; Uncertainty principle, properties of matter waves: Boundary conditions and energy level quantization and Schrödinger interpretation–wave equation, application to one dimensional problems, barrier pe... |
a92694681e4b7669 | Linear Combinations of d Orbitals
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Chemistry students encountering atomic orbitals for the first time often wonder why the orbital looks so different from the others. The answer is related to the fact that boundary surface pictures of a... |
51dd644056a4057f | Notes on Chemistry codes
I attended and gave a tutorial at the 11th LCI International conference last year at the Pittsburgh Super Computing Center. There, I had the honor to meet several leading quantum chemistry HPC code researchers. One of them, Dr. Wang Yang. Over reception, I picked his brain on how quantum che... |
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Mathematical pre-requisites for Relativistic QFT
1. Sep 10, 2009 #1
I plan on continuing to study physics, mathematics and earth science. (independently) What are the mathematical pre-requisites for learning relativistic quantum field theory as smoo... |
49724c31bac9083b | Wave Equation
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Wave equation
The name given to certain partial differential equations in classical and quantum physics which relate the spatial and time dependence of physical functions. In... |
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State of electron in hydrogen atom
1. Jun 17, 2012 #1
The term (E-V) which stands for kinetic energy is used in Schrodinger equation.Kinetic energy of electron needs motion and fixed path which leads to the conclusion that electron is moving around the proton in orbits ... |
f9cd2367cd225ebe | June 1, 2016
The scientific self-elimination of Heterodoxy
Comment on Jamie Morgan on ‘Economists confuse Greek method with science’
You say: “One underlying question is if economics is to be a science — what kind of ‘science’ can it be?” False, economics has only the choice between complying with well-defined stan... |
3d12f717c5f0b301 | Tuesday , 22 August 2017
17 Equations That Changed the World
Equations are a vital part of our culture. The stories behind them — the people who discovered/invented them and the periods in which they lived — are fascinating and some are particularly relevant to anybody affected by the current financial crisis. [Let’s... |
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Liberty Science Center
Liberty Science Center
The center, which first opened in 1993 as New Jersey's first major state science museum, has science exhibits, the largest IMAX Dome theater in the United States, numerous educational resources, and the original Hoberman sphere, a silver, comput... |
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It has been claimed by some people that Schrödinger's picture is more misleading compared to the Heisenberg principle or path integrals, and that we would be better off abandoning the Schrödinger picture in favor of either the Heise... |
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Eigenvalues and -vectors in class
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For math we were assigned a subject which we'd present during one class' hour in a group. My group got "Eigenvalues & eigenvectors". So basically first I have to give the definition and explain what it actually is (A... |
045623f223211a69 | Quantum mechanics
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Quantum mechanics ("QM") is the part of physics that tells us how the things that make up atoms work. QM also tells us how electromagnetic waves like light work.
QM is a mathematical framework (rules written in math) for much of mode... |
2400164c012072a9 | Take the 2-minute tour ×
I want to solve the time-dependent Schroedinger equation:
$$ i\partial_t \psi(t) = H(t)\psi(t) $$
for matrix, time-dependent $H(t)$ and vector $\psi$.
What is an efficient way of doing this so that it efficiently scales to high-dimensional spaces?
share|improve this question
what are the v... |
a21778873591d224 | DRUM Collection: Atmospheric & Oceanic Science Theses and Dissertations http://hdl.handle.net/1903/2747 Wed, 01 Jul 2015 23:10:33 GMT 2015-07-01T23:10:33Z MINIMIZING REANALYSIS JUMPS DUE TO NEW OBSERVING SYSTEMS http://hdl.handle.net/1903/16411 Title: MINIMIZING REANALYSIS JUMPS DUE TO NEW OBSERVING SYSTEMS Authors: Zh... |
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I want to make a diffusion kernel, which involves $e^{\beta A}$, where A is a large matrix (25k by 25k). It is an adjacency matrix, so it's symmetric and very sparse.
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If a free region in space has a potential difference of one volt, an electron in this region will acquire kinetic energy of 1 eV. Its speed will be much smaller than the speed of light hence it will be a non relativistic electron.
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Why is a proton assumed to be always at the center while applying the Schrödinger equation? Isn't it a quantum particle?
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Self interactions are not considered in a non-relativistic quantum mechanical... |
23c49195c473ec20 | alegría, galería, argelia, alergia, riégala, aligera
Leyendo rápidamente las inquietudes y alegrías de la gente en facebook esta mañana, leo en el muro de una amiga: “Dia mundial contra el cancer de mama”
Y yo pienso, “joder, vaya madre más importante la suya, que tiene su propio día mundial; pensaré en ella yo tambi... |
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Grappling with Quantum Weirdness
Peter Woit
Sneaking a Look at God's Cards: Unraveling the Mysteries of Quantum Mechanics. Giancarlo Ghirardi. xxii + 488 pp. Princeton University Press, 2005. $35.
The discovery of quantum mechanics in the mid-1920s by Werner Heisenberg, Erwin Schrödinger and others was ... |
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Next: Basis Functions in Coordinate Up: Time Evolution Previous: Summary
Decoupling of Equations in Quantum Mechanics
Recall that the time-dependent Schrödinger equation is
\begin{displaymath}i \hbar \frac{d \Psi({\bf r}, t)}{dt} = {\hat H} \Psi({\bf r}, t),
\end{displaymath} (29)
where ${\bf r}$ r... |
6b77ec5867599ca3 | Phase qubit
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The phase qubit is a superconducting device based on the superconductor-insulator-superconductor (SIS) Josephson junction,[1] designed to operate as a quantum bit, or qubit.[2] The phase qubit is closely related, yet distinct from, the flux... |
b8d1f55eb685427a |
Oceanographic Waves
Just as a rock dropped into water produces waves, sudden displacements such as landslides and earthquakes can produce high energy waves of short duration that can devastate coastal regions (see tsunami). Hurricanes traveling over shallow coastal waters can generate storm surges that in turn ... |
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quantum gates, quantum bits, Hamiltonian, simulation
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4635f24987de6425 | Biology Topics
In an effort to illuminate connections between chemistry and biology and spark students' excitement for chemistry, we incorporate frequent biology-related examples into the lectures. These in-class examples range from two to ten minutes, designed to succinctly introduce biological connections without sa... |
531fbe245b4618c6 | Symmetry, Integrability and Geometry: Methods and Applications (SIGMA)
SIGMA 4 (2008), 014, 7 pages arXiv:0802.0482
Symmetry Transformation in Extended Phase Space: the Harmonic Oscillator in the Husimi Representation
Samira Bahrami a and Sadolah Nasiri b
a) Department of Physics, Zanjan University, Zanjan, Ira... |
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Lets say we have a finite square potential well like below: finite well
This well has a $\psi$ which we can combine with $\psi_I$, $\psi_{II}$ and $\psi_{III}$. I have been playing around and got expressions for them, but they are ... |
e26372e269601a58 | On Particles Mass and the Universons Hypothesis
Jacques Consiglio
In the logic of the Universons assumption, we deduce the nature of De Broglie wave and periodic mass variation for particles. We verify consistency with quantum mechanics, in particular the Schrödinger equation.
We analyze the hypothesis that element... |
d511d7da98db626e | Quantum Microbiology
J. T. Trevors and L. Masson
Quantum Microbiology
Curr. Issues Mol. Biol. 13: 43-50, 2011
A couple of sentence from the abstract to show what the paper is about.
“During his famous 1943 lecture series at Trinity College Dublin, the renown physicist Erwin Schrödinger discussed the failure and cha... |
26b11e204f0f78a7 | Magnetic field
related topics
{math, energy, light}
{line, north, south}
{@card@, make, design}
A magnetic field is a field of force produced by moving electric charges, by electric fields that vary in time, and by the 'intrinsic' magnetic field of elementary particles associated with the spin of the particle. There ... |
6068db3efd6791d4 | Rubrica biografie
Klein Oskar
Biografia estratta da
(1894-1977) Oskar Klein was the youngest son of Sweden's first rabbi, Gottlieb Klein, who was originally from the Southern Carpathian. Gottlieb Klein received his doctorate from Heidelberg and moved to Sweden in 1883. He evidently instilled an interest in learni... |
43bd407a48fa7c75 | Moustafa Hussein Aly
Optimum Conditions for a High Bit Rate RZ Soliton Train in EDFA with Nonadiabatic Amplification
In this paper, the optimum conditions to propagate RZ-train of solitons down EDFA amplifier at high bit rate and gain are studied. The suggested model is based on the wave equation of the carrier envelop... |
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Semantics of Wave
1. Dec 20, 2007 #1
Semantics of "Wave"
Hi all,
I have two questions related to the use of the word "wave"...and I would like know whether this actually represents a physical wave nature.
#1 The "wave"-function. This is what little I thin... |
eb2ad83d655d6fcf | Oliver Smart
(c) O.S. Smart 1996, all rights reserved
Back to main Molecular Forces index
Back to previous unit Covalent Interactions
On to next course unit The effect of solvent and hydrophobic interactions
Non-bonded Interactions
As the name implies non-bonded interactions act between atoms which are not linked... |
5b85704e9b8303a1 | Second Edition of the Textbook
The Front Cover Picture's Message to Principles of Physical Chemistry
A Comment by Hans Kuhn and Horst-Dieter Försterling
The picture symbolizes the importance of inventing simplifying models to treat complex phenomena. Such models are crucial in developing the modern topics considered ... |
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@HDE226868 I so wanted one with displays on the same surface you draw on, but those puppies start at US$1000.
That's too steep for me. Especially just to learn if the tool is right for me.
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Front. Phys., 15 September 2016
Sec. Interdisciplinary Physics
On the Role of Fluctuations in the Modeling of Complex Systems
Michel Droz1* and Andrzej Pȩkalski2
• 1Department of Theoretical Physics, University of Geneva, Geneva, Switzerland
• 2Department of Physics and Astronomy, Institute... |
2e80061c460f8acc | Diabatic transformation
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We're making a video presentation on the topic of eigenvectors and eigenvalues. Unfortunately we have only reached the theoretical part of the discussion. Any comments on practical applications would be appreciated.
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L^2 in spherical coordinates.
1. Sep 29, 2006 #1
I am trying to calculate L^2 in spherical coordinates. L^2 is the square of L, the angular momentum operator. I know L in spherical coordinates. This L in spherical coordinates has only 2 components :... |
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The Radiating Atom 2: Those Damn Quantum Jumps
If we are going to have to put up with those damn quantum jumps, I am sorry I ever had anything to do with quantum theory.
Schrödinger formulated the Schrödinger equation as the foundation of quantum mechanics in 1926, but his equation was then h... |
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