openAI-math-dataset / lean /OAI /Analysis /CoulombIonization /Localization /ConditionalRetainedGap.lean
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| import Mathlib | |
| import OAI.Analysis.CoulombIonization.RadialBounds.PatchMass | |
| import OAI.Analysis.CoulombIonization.ThomasFermi.PatchRandomVariables | |
| import OAI.Analysis.CoulombIonization.FieldAnalysis.ConditionalObservables | |
| import OAI.Analysis.CoulombIonization.Ionization.ConditionalPatchMinimizer | |
| import OAI.Analysis.CoulombIonization.FieldAnalysis.RetainedFieldIdentity | |
| namespace OAI | |
| noncomputable section | |
| namespace CoulombAtom | |
| open MeasureTheory Filter | |
| open scoped Topology BigOperators ContDiff | |
| section Work_ConditionalRetainedGap_scope | |
| open MeasureTheory Filter Set Metric | |
| open scoped BigOperators ContDiff ENNReal | |
| open CoulombAnalysis CoulombNeumann | |
| theorem conditional_retained_patch_gap {M N : ℕ} {ψ : FormVector M} | |
| (hψ : SobolevFermion ψ) (y : Space) (R : ℝ) (Φ : TFField R) | |
| {Z lam : ℝ} (hZ : 0 ≤ Z) (hlam : 0 < lam) | |
| (hΦ : Φ =ᵐ[ballMeasure R] fun z => normalizedCoreField Z lam ψ (y+z)) | |
| {F : ℝ} (hF : ∀ᵐ z ∂ballMeasure R, Φ z ≤ F) | |
| {g : Space → ℝ} (hg : ContDiff ℝ ∞ g) (hcg : HasCompactSupport g) | |
| (hgn : ∫ z : Space, (g z)^2 = 1) (hr : IsRadial g) | |
| (hgs : tsupport g ⊆ ball 0 1) {b : ℝ} (hb : 0 < b) | |
| (A : Set Space) (hcore : ∀ u i, u i ∉ A → FormZeroAt ψ u) | |
| (hsep : Disjoint A (packetRegion (scaledRealPacket b g) (closedBall y R))) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) | |
| (S : Finset (Fin N)) (x : Configuration N) | |
| (hmargin : ∀ i ∈ S, ‖x i-y‖+Real.sqrt 3*b ≤ R) | |
| (hret_nuc : ∀ i ∈ S, Real.sqrt 3*b ≤ ‖x i‖) | |
| (hret_core : ∀ i ∈ S, ∀ a ∈ A, Real.sqrt 3*b ≤ ‖a-x i‖) : | |
| let σ := retainedPatchLp hb S x y R | |
| let ρ := tfPatchMinimizer R tfKinetic tfKinetic_pos Φ | |
| formMass ψ*((1/2:ℝ)*tfCoulombL R (σ-ρ) (σ-ρ)+ | |
| (∫ z, max (tfBallPotential R ρ z-Φ z) 0*σ z ∂ballMeasure R)) ≤ | |
| formEnergy Z ψ+lam*M*formMass ψ-priceEnergy (energy Z) lam*formMass ψ+ | |
| formMass ψ*(tfKinetic*retainedPressure b S x- | |
| (∑ i ∈ S, normalizedCoreField Z lam ψ (x i))+ | |
| (1/2:ℝ)*(∫ p : Space × Space, | |
| retainedSmear b S x p.1*retainedSmear b S x p.2/‖p.1-p.2‖)+ | |
| (packetDirichlet g/2)*b⁻¹^2*(∫ z, ρ z ∂ballMeasure R)) := by | |
| dsimp only | |
| have hu := conditional_priced_patch_minimizer_upper hψ y R Φ hZ hlam hΦ hF | |
| hg hcg hgn hr hgs hb A hcore hsep hnuc hcs | |
| have hg := mul_le_mul_of_nonneg_left | |
| (tfPatchFunctional_clipping_gap R Φ tfKinetic_pos (retainedPatchLp_nonneg hb S x y R)) | |
| (formMass_nonneg ψ) | |
| rw [retainedPatchLp_functional hb S x y hmargin Φ (normalizedCoreField Z lam ψ) hΦ tfKinetic, retainedSmear_core_field hψ.sobolevVector hb S x A hcore hret_nuc hret_core Z lam] at hg | |
| dsimp only at hu | |
| nlinarith | |
| theorem actual_retained_patch_gap {M N : ℕ} {ψ : FormVector M} | |
| (hψ : SobolevFermion ψ) (y : Space) (R : ℝ) | |
| {Z lam : ℝ} (hZ : 0 ≤ Z) (hlam : 0 < lam) | |
| {g : Space → ℝ} (hg : ContDiff ℝ ∞ g) (hcg : HasCompactSupport g) | |
| (hgn : ∫ z : Space, (g z)^2 = 1) (hr : IsRadial g) | |
| (hgs : tsupport g ⊆ ball 0 1) {b : ℝ} (hb : 0 < b) | |
| (A : Set Space) (hcore : ∀ u i, u i ∉ A → FormZeroAt ψ u) | |
| (hsep : Disjoint A (packetRegion (scaledRealPacket b g) (closedBall y R))) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) | |
| (S : Finset (Fin N)) (x : Configuration N) | |
| (hmargin : ∀ i ∈ S, ‖x i-y‖+Real.sqrt 3*b ≤ R) | |
| (hret_nuc : ∀ i ∈ S, Real.sqrt 3*b ≤ ‖x i‖) | |
| (hret_core : ∀ i ∈ S, ∀ a ∈ A, Real.sqrt 3*b ≤ ‖a-x i‖) : | |
| let hfield := normalizedCoreField_memLp_patch hψ.sobolevVector A hcore y R hb hb hnuc hcs Z lam | |
| let Φ := hfield.toLp (fun z => normalizedCoreField Z lam ψ (y+z)) | |
| let σ := retainedPatchLp hb S x y R | |
| let ρ := tfPatchMinimizer R tfKinetic tfKinetic_pos Φ | |
| formMass ψ*((1/2:ℝ)*tfCoulombL R (σ-ρ) (σ-ρ)+ | |
| (∫ z, max (tfBallPotential R ρ z-Φ z) 0*σ z ∂ballMeasure R)) ≤ | |
| formEnergy Z ψ+lam*M*formMass ψ-priceEnergy (energy Z) lam*formMass ψ+ | |
| formMass ψ*(tfKinetic*retainedPressure b S x- | |
| (∑ i ∈ S, normalizedCoreField Z lam ψ (x i))+ | |
| (1/2:ℝ)*(∫ p : Space × Space, | |
| retainedSmear b S x p.1*retainedSmear b S x p.2/‖p.1-p.2‖)+ | |
| (packetDirichlet g/2)*b⁻¹^2*(∫ z, ρ z ∂ballMeasure R)) := by | |
| dsimp only | |
| let hfield := normalizedCoreField_memLp_patch hψ.sobolevVector A hcore y R hb hb hnuc hcs Z lam | |
| have hbound : ∀ᵐ z ∂ballMeasure R, | |
| hfield.toLp (fun z => normalizedCoreField Z lam ψ (y+z)) z ≤ |Z|/b+|lam|+M/b := by | |
| filter_upwards [hfield.coeFn_toLp,ae_restrict_mem measurableSet_ball] with z hz hmem | |
| rw [hz] | |
| have hz' : y+z ∈ closedBall y R := by | |
| simpa only [mem_closedBall,dist_eq_norm,add_sub_cancel_left] using | |
| (show ‖z‖ ≤ R from (by simpa only [mem_ball,dist_eq_norm,sub_zero] using hmem : ‖z‖ < R).le) | |
| exact (le_abs_self _).trans (normalizedCoreField_abs_le hψ.sobolevVector A hcore hb | |
| (y+z) (fun a ha => hcs a ha _ hz') hb (hnuc _ hz') Z lam) | |
| exact conditional_retained_patch_gap hψ y R _ hZ hlam hfield.coeFn_toLp hbound | |
| hg hcg hgn hr hgs hb A hcore hsep hnuc hcs S x hmargin hret_nuc hret_core | |
| end Work_ConditionalRetainedGap_scope | |
| open MeasureTheory Filter Set Metric | |
| open scoped BigOperators ENNReal ContDiff | |
| open CoulombAnalysis CoulombNeumann | |
| def finiteCorePatchBound (N : ℕ) (Z lam b : ℝ) : ℝ := |Z|/b+|lam|+N/b | |
| lemma finiteCorePatchBound_nonneg (N : ℕ) (Z lam : ℝ) {b : ℝ} (hb : 0 < b) : | |
| 0 ≤ finiteCorePatchBound N Z lam b := by unfold finiteCorePatchBound; positivity | |
| lemma conditionalPatchField_upper {N M : ℕ} {ψ : FormVector (N+M)} | |
| (hψ : SobolevVector ψ) (t : Spins M) (y : Space) (R : ℝ) (Z lam : ℝ) | |
| {b : ℝ} (hb : 0 < b) (A : Set Space) | |
| (hcore : ∀ u x i, x i ∉ A → FormZeroAt (coreSlice ψ t u) x) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) : | |
| ∀ᵐ u : Configuration M, ∀ᵐ z ∂ballMeasure R, | |
| conditionalPatchField ψ t Z lam y R u z ≤ finiteCorePatchBound N Z lam b := by | |
| apply (hψ.ae_coreSlice t).mono | |
| intro u hu | |
| have hf := normalizedCoreField_memLp_patch hu A (hcore u) y R hb hb hnuc hcs Z lam | |
| filter_upwards [conditionalPatchField_ae ψ t Z lam y R u hf, | |
| ae_restrict_mem measurableSet_ball] with z hz hmem | |
| have hpos : y+z ∈ closedBall y R := by | |
| simpa only [mem_closedBall,dist_eq_norm,add_sub_cancel_left] using | |
| ((mem_ball_zero_iff.mp hmem).le) | |
| rw [hz] | |
| exact (le_abs_self _).trans (normalizedCoreField_abs_le hu A (hcore u) hb (y+z) | |
| (fun a ha => hcs a ha _ hpos) hb (hnuc _ hpos) Z lam) | |
| def weightedPatchMass {N M : ℕ} (ψ : FormVector (N+M)) (t : Spins M) | |
| (Z lam : ℝ) (y : Space) (R : ℝ) (u : Configuration M) : ℝ := | |
| formMass (coreSlice ψ t u)*(∫ z, | |
| tfPatchMinimizer R tfKinetic tfKinetic_pos (conditionalPatchField ψ t Z lam y R u) z ∂ballMeasure R) | |
| lemma weightedPatchMass_nonneg {N M : ℕ} (ψ : FormVector (N+M)) (t : Spins M) | |
| (Z lam : ℝ) (y : Space) (R : ℝ) (u : Configuration M) : | |
| 0 ≤ weightedPatchMass ψ t Z lam y R u := | |
| mul_nonneg (formMass_nonneg _) (integral_nonneg_of_ae (tfPatchMinimizer_nonneg R tfKinetic tfKinetic_pos _)) | |
| lemma weightedPatchMass_integrable {N M : ℕ} {ψ : FormVector (N+M)} | |
| (hψ : SobolevVector ψ) (t : Spins M) (y : Space) {R : ℝ} (hR : 0 < R) (Z lam : ℝ) | |
| {b : ℝ} (hb : 0 < b) (A : Set Space) | |
| (hcore : ∀ u x i, x i ∉ A → FormZeroAt (coreSlice ψ t u) x) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) : | |
| Integrable (weightedPatchMass ψ t Z lam y R) := by | |
| have hm := (conditionalPatchMass_aemeasurable hψ t Z lam y R).aestronglyMeasurable | |
| have hbnd : ∀ᵐ u : Configuration M, ‖(∫ z, | |
| tfPatchMinimizer R tfKinetic tfKinetic_pos (conditionalPatchField ψ t Z lam y R u) z ∂ballMeasure R)‖ ≤ | |
| 4*R*finiteCorePatchBound N Z lam b := by | |
| apply (conditionalPatchField_upper hψ t y R Z lam hb A hcore hnuc hcs).mono | |
| intro u hu | |
| rw [Real.norm_of_nonneg (integral_nonneg_of_ae (tfPatchMinimizer_nonneg R tfKinetic tfKinetic_pos _))] | |
| exact tfPatchMinimizer_mass_le hR tfKinetic_pos (finiteCorePatchBound_nonneg N Z lam hb) _ hu | |
| exact ((hψ.coreSlice_mass_integrable t).bdd_mul hm hbnd).congr | |
| (Eventually.of_forall fun _ => mul_comm _ _) | |
| lemma coreSlice_priceExcess_integrable {N M : ℕ} {ψ : FormVector (N+M)} | |
| (hψ : SobolevVector ψ) (t : Spins M) (Z lam : ℝ) : | |
| Integrable (fun u => corePriceExcess Z lam (coreSlice ψ t u)) := by | |
| exact ((hψ.coreSlice_energy_integrable Z t).add ((hψ.coreSlice_mass_integrable t).const_mul (lam*N))).sub | |
| ((hψ.coreSlice_mass_integrable t).const_mul (priceEnergy (energy Z) lam)) | |
| def weightedPatchGap {N M : ℕ} (ψ : FormVector (N+M)) (t : Spins M) | |
| (Z lam : ℝ) (y : Space) (R : ℝ) {b : ℝ} (hb : 0 < b) | |
| (S : Configuration M → Finset (Fin M)) (u : Configuration M) : ℝ := | |
| formMass (coreSlice ψ t u)*tfPatchGap R tfKinetic tfKinetic_pos | |
| (conditionalPatchField ψ t Z lam y R u) (retainedPatchLp hb (S u) u y R) | |
| lemma weightedPatchGap_nonneg {N M : ℕ} (ψ : FormVector (N+M)) (t : Spins M) | |
| (Z lam : ℝ) (y : Space) (R : ℝ) {b : ℝ} (hb : 0 < b) | |
| (S : Configuration M → Finset (Fin M)) (u : Configuration M) : | |
| 0 ≤ weightedPatchGap ψ t Z lam y R hb S u := | |
| mul_nonneg (formMass_nonneg _) (tfPatchGap_nonneg _ _ _ _ (retainedPatchLp_nonneg hb (S u) u y R)) | |
| theorem conditionalPatchGap_upper {N M : ℕ} {ψ : FormVector (N+M)} | |
| (hψ : SobolevVector ψ) (ha : CoreAntisymmetric ψ) (t : Spins M) | |
| (y : Space) (R : ℝ) {Z lam : ℝ} (hZ : 0 ≤ Z) (hlam : 0 < lam) | |
| {g : Space → ℝ} (hg : ContDiff ℝ ∞ g) (hcg : HasCompactSupport g) | |
| (hgn : ∫ z : Space, (g z)^2 = 1) (hr : IsRadial g) | |
| (hgs : tsupport g ⊆ ball 0 1) {b : ℝ} (hb : 0 < b) | |
| (A : Set Space) (hcore : ∀ u x i, x i ∉ A → FormZeroAt (coreSlice ψ t u) x) | |
| (hsep : Disjoint A (packetRegion (scaledRealPacket b g) (closedBall y R))) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) | |
| (S : Configuration M → Finset (Fin M)) | |
| (hmargin : ∀ u, ∀ i ∈ S u, ‖u i-y‖+Real.sqrt 3*b ≤ R) | |
| (hret_nuc : ∀ u, ∀ i ∈ S u, Real.sqrt 3*b ≤ ‖u i‖) | |
| (hret_core : ∀ u, ∀ i ∈ S u, ∀ a ∈ A, Real.sqrt 3*b ≤ ‖a-u i‖) : | |
| ∀ᵐ u : Configuration M, | |
| weightedPatchGap ψ t Z lam y R hb S u ≤ | |
| corePriceExcess Z lam (coreSlice ψ t u)+ | |
| tfKinetic*(retainedPressure b (S u) u*formMass (coreSlice ψ t u))- | |
| conditionalRetainedFieldSum Z lam ψ t S u+ | |
| retainedDirect b (S u) u*formMass (coreSlice ψ t u)+ | |
| ((packetDirichlet g/2)*b⁻¹^2)*weightedPatchMass ψ t Z lam y R u := by | |
| filter_upwards [ha.ae_coreSlice hψ t, | |
| conditionalPatchField_upper hψ t y R Z lam hb A hcore hnuc hcs] with u hu hfield | |
| have hf := normalizedCoreField_memLp_patch hu.sobolevVector A (hcore u) y R hb hb hnuc hcs Z lam | |
| have hh := conditional_retained_patch_gap hu y R (conditionalPatchField ψ t Z lam y R u) | |
| hZ hlam (conditionalPatchField_ae ψ t Z lam y R u hf) hfield | |
| hg hcg hgn hr hgs hb A (hcore u) hsep hnuc hcs (S u) u | |
| (hmargin u) (hret_nuc u) (hret_core u) | |
| dsimp only at hh | |
| change formMass (coreSlice ψ t u)*_ ≤ _ | |
| unfold tfPatchGap | |
| unfold corePriceExcess conditionalRetainedFieldSum retainedDirect weightedPatchMass | |
| nlinarith | |
| theorem weightedPatchGap_integrable {N M : ℕ} {ψ : FormVector (N+M)} | |
| (hψ : SobolevVector ψ) (ha : CoreAntisymmetric ψ) (t : Spins M) | |
| (y : Space) {R : ℝ} (hR : 0 < R) {Z lam : ℝ} (hZ : 0 ≤ Z) (hlam : 0 < lam) | |
| {g : Space → ℝ} (hg : ContDiff ℝ ∞ g) (hcg : HasCompactSupport g) | |
| (hgn : ∫ z : Space, (g z)^2 = 1) (hr : IsRadial g) | |
| (hgs : tsupport g ⊆ ball 0 1) {b : ℝ} (hb : 0 < b) | |
| (A : Set Space) (hcore : ∀ u x i, x i ∉ A → FormZeroAt (coreSlice ψ t u) x) | |
| (hsep : Disjoint A (packetRegion (scaledRealPacket b g) (closedBall y R))) | |
| (hnuc : ∀ z ∈ closedBall y R, b ≤ ‖z‖) | |
| (hcs : ∀ a ∈ A, ∀ z ∈ closedBall y R, b ≤ ‖a-z‖) | |
| (S : Configuration M → Finset (Fin M)) (hS : ∀ i, MeasurableSet {u | i ∈ S u}) | |
| (hmargin : ∀ u, ∀ i ∈ S u, ‖u i-y‖+Real.sqrt 3*b ≤ R) | |
| (hret_nuc : ∀ u, ∀ i ∈ S u, Real.sqrt 3*b ≤ ‖u i‖) | |
| (hret_core : ∀ u, ∀ i ∈ S u, ∀ a ∈ A, Real.sqrt 3*b ≤ ‖a-u i‖) : | |
| Integrable (weightedPatchGap ψ t Z lam y R hb S) := by | |
| have hm := (hψ.coreSlice_mass_integrable t).aemeasurable.mul | |
| (conditionalPatchGap_aemeasurable hψ t Z lam y R hb S hS) | |
| have hi := ((((coreSlice_priceExcess_integrable hψ t Z lam).add | |
| ((retained_pressure_weighted_integrable hψ hb t S hS).const_mul tfKinetic)).sub | |
| (conditionalRetainedFieldSum_integrable hψ Z lam t S hS)).add | |
| (retained_direct_weighted_integrable hψ hb t S hS)).add | |
| ((weightedPatchMass_integrable hψ t y hR Z lam hb A hcore hnuc hcs).const_mul | |
| ((packetDirichlet g/2)*b⁻¹^2)) | |
| apply hi.mono' hm.aestronglyMeasurable | |
| filter_upwards [conditionalPatchGap_upper hψ ha t y R hZ hlam hg hcg hgn hr hgs hb A hcore hsep hnuc hcs S hmargin hret_nuc hret_core] with u hu | |
| simp only [Pi.mul_apply,Pi.add_apply,Pi.sub_apply] | |
| change ‖weightedPatchGap ψ t Z lam y R hb S u‖ ≤ _ | |
| rw [Real.norm_of_nonneg (weightedPatchGap_nonneg ψ t Z lam y R hb S u)] | |
| exact hu | |
| end CoulombAtom | |
| end | |
| end OAI | |