import Mathlib import OAI.Analysis.HardSphere.Model namespace OAI section section noncomputable section open MeasureTheory Filter Set open scoped ENNReal Topology BigOperators noncomputable section open scoped BigOperators ComplexConjugate namespace HardSphere.Variational variable {H J : Type*} [NormedAddCommGroup H] [InnerProductSpace ℂ H] [Fintype J] def energy (u : H × (J → H)) : ℝ := ∑ i, ‖u.2 i‖ ^ 2 def gradientPairing (u v : H × (J → H)) : ℂ := ∑ i, inner ℂ (u.2 i) (v.2 i) omit [InnerProductSpace ℂ H] in lemma energy_nonneg (u : H × (J → H)) : 0 ≤ energy u := Finset.sum_nonneg fun _ _ ↦ sq_nonneg _ lemma energy_smul (c : ℂ) (u : H × (J → H)) : energy (c • u) = ‖c‖ ^ 2 * energy u := by simp [energy, norm_smul, mul_pow, Finset.mul_sum] theorem rayleigh (M : Submodule ℂ (H × (J → H))) (u : H × (J → H)) (hmin : ∀ v ∈ M, ‖v.1‖ = 1 → energy u ≤ energy v) (v : H × (J → H)) (hv : v ∈ M) : energy u * ‖v.1‖ ^ 2 ≤ energy v := by by_cases hz : ‖v.1‖ = 0 · simpa [hz] using energy_nonneg v · let c : ℂ := ((‖v.1‖ : ℂ))⁻¹ have hc : ‖c‖ = ‖v.1‖⁻¹ := by simp [c, Complex.norm_real] have hv' : ‖(c • v).1‖ = 1 := by simp only [Prod.smul_fst, norm_smul, hc] exact inv_mul_cancel₀ hz have h := hmin (c • v) (M.smul_mem c hv) hv' rw [energy_smul, hc] at h calc energy u * ‖v.1‖ ^ 2 ≤ (‖v.1‖⁻¹ ^ 2 * energy v) * ‖v.1‖ ^ 2 := mul_le_mul_of_nonneg_right h (sq_nonneg _) _ = energy v := by field_simp lemma norm_add_real_smul_sq (x y : H) (t : ℝ) : ‖x + (t : ℂ) • y‖ ^ 2 = ‖x‖ ^ 2 + 2 * t * (inner ℂ x y).re + t ^ 2 * ‖y‖ ^ 2 := by rw [norm_add_sq (𝕜 := ℂ), inner_smul_right, norm_smul, mul_pow] simp [Complex.norm_real, sq_abs, mul_assoc] lemma energy_add_real_smul (u v : H × (J → H)) (t : ℝ) : energy (u + (t : ℂ) • v) = energy u + 2 * t * (gradientPairing u v).re + t ^ 2 * energy v := by change (∑ i, ‖u.2 i + (t : ℂ) • v.2 i‖ ^ 2) = _ simp_rw [norm_add_real_smul_sq] simp only [energy, gradientPairing, Finset.sum_add_distrib, Finset.mul_sum, Complex.re_sum] lemma linear_term_zero {a b : ℝ} (ha : 0 ≤ a) (h : ∀ t : ℝ, 0 ≤ a * t ^ 2 + 2 * b * t) : b = 0 := by have hd : 0 < a + 1 := by linarith have hh := mul_nonneg (h (-b / (a + 1))) (sq_nonneg (a + 1)) have heq : (a * (-b / (a + 1)) ^ 2 + 2 * b * (-b / (a + 1))) * (a + 1) ^ 2 = -(a + 2) * b ^ 2 := by field_simp ring rw [heq] at hh have hb := sq_nonneg b have hprod := mul_nonneg ha hb nlinarith theorem ground_pairing (M : Submodule ℂ (H × (J → H))) (u : H × (J → H)) (hu : u ∈ M) (hnorm : ‖u.1‖ = 1) (hmin : ∀ v ∈ M, ‖v.1‖ = 1 → energy u ≤ energy v) (v : H × (J → H)) (hv : v ∈ M) : gradientPairing u v = (energy u : ℂ) * inner ℂ u.1 v.1 := by have hre (w : H × (J → H)) (hw : w ∈ M) : (gradientPairing u w).re = energy u * (inner ℂ u.1 w.1).re := by have ha : 0 ≤ energy w - energy u * ‖w.1‖ ^ 2 := sub_nonneg.mpr (rayleigh M u hmin w hw) have hpoly (t : ℝ) : 0 ≤ (energy w - energy u * ‖w.1‖ ^ 2) * t ^ 2 + 2 * ((gradientPairing u w).re - energy u * (inner ℂ u.1 w.1).re) * t := by have h := rayleigh M u hmin (u + (t : ℂ) • w) (M.add_mem hu (M.smul_mem _ hw)) rw [energy_add_real_smul] at h simp only [Prod.fst_add, Prod.smul_fst, norm_add_real_smul_sq, hnorm, one_pow] at h nlinarith exact sub_eq_zero.mp (linear_term_zero ha hpoly) have hI := hre (Complex.I • v) (M.smul_mem _ hv) have hr := hre v hv apply Complex.ext · simpa using hr · simpa [gradientPairing, inner_smul_right, ← Finset.mul_sum, Complex.mul_re, Complex.I_re, Complex.I_im, Complex.mul_im] using hI end HardSphere.Variational end end end end end OAI