import Mathlib import OAI.Analysis.CoulombIonization.RadialBounds.Radial import OAI.Analysis.CoulombIonization.Variational.SpinFinite namespace OAI noncomputable section namespace CoulombAtom open MeasureTheory Filter open scoped Topology BigOperators ContDiff open MeasureTheory Filter open scoped BigOperators ContDiff lemma compact_potential_bounded {d : Space → ℝ} (hd : Continuous d) (hcd : HasCompactSupport d) : ∃ C : ℝ, ∀ x : Space, |CoulombAnalysis.tfPotential d x| ≤ C := by have h1 : Integrable d := hd.integrable_of_hasCompactSupport hcd have hp : MemLp d (5/3 : ENNReal) := hd.memLp_of_hasCompactSupport hcd obtain ⟨R,_,hR⟩ := hcd.isBounded.exists_pos_norm_le have hs (y : Space) (hy : d y ≠ 0) : ‖y‖ ≤ R := hR y (subset_tsupport d hy) obtain ⟨S,_,hS⟩ := CoulombAnalysis.tfPotential_compact_decay h1 hp hs 1 zero_lt_one obtain ⟨C,hC⟩ := (isCompact_closedBall (0 : Space) S).exists_bound_of_continuousOn (CoulombAnalysis.tfPotential_continuous h1 hp).continuousOn refine ⟨max C 1,fun x => ?_⟩ by_cases hx : ‖x‖ ≤ S · exact (hC x (by simpa using hx)).trans (le_max_left _ _) · exact (hS x (le_of_not_ge hx)).trans (le_max_right _ _) lemma core_bounded_potential_integrable {N : ℕ} {ψ : FormVector N} (hψ : SobolevVector ψ) {V : Space → ℝ} (hV : Continuous V) {C : ℝ} (hC : ∀ x, |V x| ≤ C) (s : Spins N) (j : Fin N) : Integrable (fun x : Configuration N => ‖ψ.value s x‖^2 * V (x j)) := by apply ((hψ.1 s).norm.integrable_sq.mul_const C).mono' (((hψ.1 s).aestronglyMeasurable.norm.pow 2).mul (hV.comp (continuous_apply j)).aestronglyMeasurable) filter_upwards [] with x change ‖‖ψ.value s x‖^2 * V (x j)‖ ≤ _ rw [norm_mul,Real.norm_of_nonneg (sq_nonneg _),Real.norm_eq_abs] exact mul_le_mul_of_nonneg_left (hC (x j)) (sq_nonneg _) lemma core_compact_potential_integrable {N : ℕ} {ψ : FormVector N} (hψ : SobolevVector ψ) {d : Space → ℝ} (hd : Continuous d) (hcd : HasCompactSupport d) (s : Spins N) (j : Fin N) : Integrable (fun x : Configuration N => ‖ψ.value s x‖^2 * CoulombAnalysis.tfPotential d (x j)) := by obtain ⟨C,hC⟩ := compact_potential_bounded hd hcd exact core_bounded_potential_integrable hψ (CoulombAnalysis.tfPotential_continuous (hd.integrable_of_hasCompactSupport hcd) (hd.memLp_of_hasCompactSupport hcd)) hC s j def coreDensityInteraction {N : ℕ} (ψ : FormVector N) (d : Space → ℝ) : ℝ := ∑ s : Spins N, ∑ j : Fin N, ∫ x : Configuration N, ‖ψ.value s x‖^2 * CoulombAnalysis.tfPotential d (x j) lemma spinLift_pole (u : Space → ℂ) (σ : Fin 2) (a : Space) : orbitalPole (spinLift u σ) a = CoulombAnalysis.tfPotential (fun y => ‖u y‖^2) a := by unfold orbitalPole CoulombAnalysis.tfPotential simpa only [div_eq_mul_inv,mul_comm] using spinLift_weight u σ (fun x => ‖a-x‖⁻¹) lemma spinLift_core_interaction {N : ℕ} (ψ : FormVector N) (u : Space → ℂ) (σ : Fin 2) : orbitalCoreInteraction ψ (spinLift u σ) = coreDensityInteraction ψ (fun y => ‖u y‖^2) := by simp only [orbitalCoreInteraction,coreDensityInteraction,spinLift_pole] section Work_CompactDirect_scope open MeasureTheory Filter open scoped BigOperators ContDiff lemma continuous_compact_coulomb_integrable {f g : Space → ℝ} (hf : Continuous f) (hg : Continuous g) (hcf : HasCompactSupport f) (hcg : HasCompactSupport g) : Integrable (fun r : Space × Space => f r.1 * g r.2 / ‖r.1-r.2‖) := by have hm : Measurable (fun r : Space × Space => f r.1 * g r.2 / ‖r.1-r.2‖) := ((hf.measurable.comp measurable_fst).mul (hg.measurable.comp measurable_snd)).div ((measurable_fst.sub measurable_snd).norm) have hg1 : Integrable g := hg.integrable_of_hasCompactSupport hcg have hgp : MemLp g (5/3 : ENNReal) := hg.memLp_of_hasCompactSupport hcg (p := (5/3 : ENNReal)) have hgn1 : Integrable (fun x => ‖g x‖) := hg.norm.integrable_of_hasCompactSupport hcg.norm have hgnp : MemLp (fun x => ‖g x‖) (5/3 : ENNReal) := hg.norm.memLp_of_hasCompactSupport hcg.norm (p := (5/3 : ENNReal)) apply (integrable_prod_iff hm.aestronglyMeasurable).2 refine ⟨Eventually.of_forall (fun x => ?_),?_⟩ · simpa only [mul_div_assoc] using (CoulombAnalysis.tfPotential_integrable hg1 hgp x).const_mul (f x) · have hi : Integrable (fun x => ‖f x‖ * CoulombAnalysis.tfPotential (fun y => ‖g y‖) x) := (hf.norm.mul (CoulombAnalysis.tfPotential_continuous hgn1 hgnp)).integrable_of_hasCompactSupport hcf.norm.mul_right apply hi.congr filter_upwards [] with x simp only [norm_div,norm_mul,norm_norm,CoulombAnalysis.tfPotential,← integral_const_mul] congr 1 funext y ring lemma spatialFiniteDensity_continuous {ι : Type*} [Fintype ι] (p : ι → ℝ) {u : ι → Space → ℂ} (hu : ∀ i, Continuous (u i)) : Continuous (spatialFiniteDensity p u) := by unfold spatialFiniteDensity fun_prop lemma spatialFiniteDensity_compact {ι : Type*} [Fintype ι] (p : ι → ℝ) {u : ι → Space → ℂ} (hu : ∀ i, HasCompactSupport (u i)) : HasCompactSupport (spatialFiniteDensity p u) := by unfold spatialFiniteDensity classical induction (Finset.univ : Finset ι) using Finset.induction_on with | empty => simp only [Finset.sum_empty] exact HasCompactSupport.zero | @insert a s ha ih => simp only [Finset.sum_insert ha] exact ((compact_norm_sq (hu a)).mul_left).add ih lemma spatialFiniteDensity_nonneg {ι : Type*} [Fintype ι] {p : ι → ℝ} {u : ι → Space → ℂ} (hp : ∀ i, 0 ≤ p i) (x : Space) : 0 ≤ spatialFiniteDensity p u x := Finset.sum_nonneg (fun i _ => mul_nonneg (hp i) (sq_nonneg _)) lemma compact_direct_mono {f g : Space → ℝ} (hf : Continuous f) (hg : Continuous g) (hcf : HasCompactSupport f) (hcg : HasCompactSupport g) (hn : ∀ x, 0 ≤ f x) (hb : ∀ x, f x ≤ g x) : (∫ r : Space × Space, f r.1 * f r.2 / ‖r.1-r.2‖) ≤ ∫ r : Space × Space, g r.1 * g r.2 / ‖r.1-r.2‖ := by apply integral_mono (continuous_compact_coulomb_integrable hf hf hcf hcf) (continuous_compact_coulomb_integrable hg hg hcg hcg) intro r exact div_le_div_of_nonneg_right (mul_le_mul (hb r.1) (hb r.2) (hn r.2) ((hn r.1).trans (hb r.1))) (norm_nonneg _) end Work_CompactDirect_scope open MeasureTheory Filter Set Metric open scoped BigOperators ContDiff lemma bounded_compact_memLp {f : Space → ℝ} (hf : Measurable f) {J : Set Space} (hJ : IsCompact J) (hs : Function.support f ⊆ J) {B : ℝ} (hb : ∀ x, |f x| ≤ B) (p : ENNReal) : MemLp f p := by have hi := memLp_indicator_const (μ := volume) p hJ.measurableSet B (Or.inr hJ.measure_lt_top.ne) apply hi.mono' hf.aestronglyMeasurable filter_upwards [] with x by_cases hx : x ∈ J · simpa only [Set.indicator_of_mem hx,Real.norm_eq_abs] using hb x · have hz : f x = 0 := by by_contra hn; exact hx (hs hn) simp only [Set.indicator_of_notMem hx,hz,norm_zero,le_refl] lemma bounded_compact_integrable {f : Space → ℝ} (hf : Measurable f) {J : Set Space} (hJ : IsCompact J) (hs : Function.support f ⊆ J) {B : ℝ} (hb : ∀ x, |f x| ≤ B) : Integrable f := memLp_one_iff_integrable.mp (bounded_compact_memLp hf hJ hs hb 1) lemma compact_support_potential_bounded {f : Space → ℝ} (h1 : Integrable f) (hp : MemLp f (5/3 : ENNReal)) {J : Set Space} (hJ : IsCompact J) (hs : Function.support f ⊆ J) : ∃ C : ℝ, ∀ x : Space, |CoulombAnalysis.tfPotential f x| ≤ C := by obtain ⟨R,_,hR⟩ := hJ.isBounded.exists_pos_norm_le have hr (y : Space) (hy : f y ≠ 0) : ‖y‖ ≤ R := hR y (hs hy) obtain ⟨S,_,hS⟩ := CoulombAnalysis.tfPotential_compact_decay h1 hp hr 1 zero_lt_one obtain ⟨C,hC⟩ := (isCompact_closedBall (0 : Space) S).exists_bound_of_continuousOn (CoulombAnalysis.tfPotential_continuous h1 hp).continuousOn refine ⟨max C 1,fun x => ?_⟩ by_cases hx : ‖x‖ ≤ S · exact (hC x (by simpa using hx)).trans (le_max_left _ _) · exact (hS x (le_of_not_ge hx)).trans (le_max_right _ _) lemma compact_support_coulomb_integrable {f g : Space → ℝ} (hfm : Measurable f) (hgm : Measurable g) (hf : Integrable f) (hg : Integrable g) (hgp : MemLp g (5/3 : ENNReal)) {J : Set Space} (hJ : IsCompact J) (hs : Function.support g ⊆ J) : Integrable (fun r : Space × Space => f r.1*g r.2/‖r.1-r.2‖) := by have hm : Measurable (fun r : Space × Space => f r.1*g r.2/‖r.1-r.2‖) := by fun_prop apply (integrable_prod_iff hm.aestronglyMeasurable).2 refine ⟨Eventually.of_forall (fun x => ?_),?_⟩ · simpa only [mul_div_assoc] using (CoulombAnalysis.tfPotential_integrable hg hgp x).const_mul (f x) · obtain ⟨C,hC⟩ := compact_support_potential_bounded hg.norm hgp.norm hJ (fun x hx => hs (by intro hz; exact hx (by simp [hz]))) have hi : Integrable (fun x => ‖f x‖*CoulombAnalysis.tfPotential (fun y => ‖g y‖) x) := by apply (hf.norm.mul_const C).mono' ((hfm.norm.mul (CoulombAnalysis.tfPotential_continuous hg.norm hgp.norm).measurable).aestronglyMeasurable) filter_upwards [] with x change ‖‖f x‖*CoulombAnalysis.tfPotential (fun y => ‖g y‖) x‖ ≤ ‖f x‖*C rw [norm_mul,norm_norm,Real.norm_eq_abs] exact mul_le_mul_of_nonneg_left (hC x) (abs_nonneg _) apply hi.congr filter_upwards [] with x simp only [norm_div,norm_mul,norm_norm,CoulombAnalysis.tfPotential,← integral_const_mul] congr 1 funext y ring lemma bounded_compact_coulomb_integrable {f g : Space → ℝ} (hfm : Measurable f) (hgm : Measurable g) {J K : Set Space} (hJ : IsCompact J) (hK : IsCompact K) (hsf : Function.support f ⊆ J) (hsg : Function.support g ⊆ K) {B C : ℝ} (hb : ∀ x, |f x| ≤ B) (hc : ∀ x, |g x| ≤ C) : Integrable (fun r : Space × Space => f r.1*g r.2/‖r.1-r.2‖) := compact_support_coulomb_integrable hfm hgm (bounded_compact_integrable hfm hJ hsf hb) (bounded_compact_integrable hgm hK hsg hc) (bounded_compact_memLp hgm hK hsg hc _) hK hsg end CoulombAtom end end OAI