import Mathlib import OAI.Analysis.CoulombIonization.FormDomain.Form import OAI.Analysis.CoulombIonization.Fermionic.SlaterSymmetry namespace OAI noncomputable section namespace CoulombAtom open MeasureTheory Filter open scoped Topology BigOperators ContDiff open MeasureTheory Filter open scoped BigOperators ComplexConjugate lemma pi_count_eq_count {ι β : Type*} [Fintype ι] [Fintype β] [MeasurableSpace β] [MeasurableSingletonClass β] : (Measure.pi fun _ : ι => (Measure.count : Measure β)) = Measure.count := by apply Measure.ext_of_singleton intro x rw [Measure.pi_singleton, Measure.count_singleton] simp only [Measure.count_singleton, Finset.prod_const_one] lemma spinSpace_measurePreserving (n : ℕ) : MeasurePreserving (MeasurableEquiv.arrowProdEquivProdArrow (Fin 2) Space (Fin n)) (Measure.pi fun _ : Fin n => (Measure.count : Measure (Fin 2)).prod volume) ((Measure.count : Measure (Spins n)).prod volume) := by simpa only [pi_count_eq_count, ← volume_pi] using measurePreserving_arrowProdEquivProdArrow (Fin 2) Space (Fin n) (fun _ => (Measure.count : Measure (Fin 2))) (fun _ => (volume : Measure Space)) lemma spinSpace_integral {n : ℕ} {E : Type*} [NormedAddCommGroup E] [NormedSpace ℝ E] [CompleteSpace E] (F : (Fin n → Fin 2 × Space) → E) (hF : Integrable F (Measure.pi fun _ : Fin n => (Measure.count : Measure (Fin 2)).prod volume)) : (∫ z, F z ∂Measure.pi (fun _ : Fin n => (Measure.count : Measure (Fin 2)).prod volume)) = ∑ s : Spins n, ∫ x : Configuration n, F (fun i => (s i,x i)) := by have hp := (spinSpace_measurePreserving n).symm have hi := (hp.integrable_comp_emb (MeasurableEquiv.arrowProdEquivProdArrow (Fin 2) Space (Fin n)).symm.measurableEmbedding).2 hF rw [← hp.integral_comp' F] change Integrable (fun z : Spins n × Configuration n => F (fun i => (z.1 i,z.2 i))) (Measure.count.prod volume) at hi change (∫ z : Spins n × Configuration n, F (fun i => (z.1 i,z.2 i)) ∂Measure.count.prod volume) = _ rw [integral_prod _ hi, integral_count] open MeasureTheory Filter open scoped BigOperators ComplexConjugate ContDiff Topology abbrev slaterParticleMeasure : Measure SlaterParticle := (Measure.count : Measure (Fin 2)).prod volume lemma compact_spinSpace {f : SlaterParticle → ℂ} (hc : ∀ s, HasCompactSupport (fun x : Space => f (s,x))) : HasCompactSupport f := by apply HasCompactSupport.of_support_subset_isCompact (isCompact_univ.prod (isCompact_iUnion hc)) intro z hz exact ⟨Set.mem_univ _, Set.mem_iUnion.mpr ⟨z.1, subset_tsupport _ hz⟩⟩ lemma memLp_spinSpace {f : SlaterParticle → ℂ} (hf : ∀ s, Continuous (fun x : Space => f (s,x))) (hc : ∀ s, HasCompactSupport (fun x : Space => f (s,x))) : MemLp f 2 slaterParticleMeasure := (continuous_prod_of_discrete_left.mpr hf).memLp_of_hasCompactSupport (compact_spinSpace hc) lemma memLp_spatialOrbitalDerivative {n : ℕ} {φ : Fin n → SlaterParticle → ℂ} (hφ : ∀ i s, ContDiff ℝ ∞ (fun x : Space => φ i (s,x))) (hc : ∀ i s, HasCompactSupport (fun x : Space => φ i (s,x))) (a : Fin 3) (i : Fin n) : MemLp (spatialOrbitalDerivative φ a i) 2 slaterParticleMeasure := memLp_spinSpace (fun s => smooth_derivative_continuous (hφ i s) _) (fun s => compact_derivative (hc i s) _) lemma slaterForm_mass {n : ℕ} {φ : Fin n → SlaterParticle → ℂ} (hφ : ∀ i, MemLp (φ i) 2 slaterParticleMeasure) (ho : ∀ i k, (∫ z, conj (φ i z) * φ k z ∂slaterParticleMeasure) = if i=k then 1 else 0) : formMass (slaterForm φ) = 1 := by have he := spinSpace_integral (fun z => ‖slater φ z‖^2) (memLp_slater hφ).norm.integrable_sq have hn := slater_norm_sq_integral hφ ho rw [he] at hn exact hn theorem slaterForm_admissible {n : ℕ} {φ : Fin n → SlaterParticle → ℂ} (hφ : ∀ i s, ContDiff ℝ ∞ (fun x : Space => φ i (s,x))) (hc : ∀ i s, HasCompactSupport (fun x : Space => φ i (s,x))) (ho : ∀ i k, (∫ z, conj (φ i z) * φ k z ∂slaterParticleMeasure) = if i=k then 1 else 0) : FormAdmissible (slaterForm φ) := (slaterForm_sobolevFermion hφ hc).admissible (slaterForm_mass (fun i => memLp_spinSpace (fun s => (hφ i s).continuous) (hc i)) ho) theorem slaterForm_kinetic {n : ℕ} {φ : Fin n → SlaterParticle → ℂ} (hφ : ∀ i s, ContDiff ℝ ∞ (fun x : Space => φ i (s,x))) (hc : ∀ i s, HasCompactSupport (fun x : Space => φ i (s,x))) (ho : ∀ i k, (∫ z, conj (φ i z) * φ k z ∂slaterParticleMeasure) = if i=k then 1 else 0) : formKinetic (slaterForm φ) = (1/2:ℝ) * ∑ a : Fin 3, ∑ i : Fin n, ∫ z, ‖spatialOrbitalDerivative φ a i z‖^2 ∂slaterParticleMeasure := by have hl (i : Fin n) : MemLp (φ i) 2 slaterParticleMeasure := memLp_spinSpace (fun s => (hφ i s).continuous) (hc i) have hd := memLp_spatialOrbitalDerivative hφ hc have he (a : Fin 3) (j : Fin n) := spinSpace_integral (fun z => ‖slaterCoordinate φ (spatialOrbitalDerivative φ a) j z‖^2) (memLp_slaterCoordinate hl (hd a) j).norm.integrable_sq unfold formKinetic congr 1 simp only [slaterForm] rw [Finset.sum_comm] simp_rw [Finset.sum_comm (s := (Finset.univ : Finset (Spins n))) (t := (Finset.univ : Finset (Fin 3)))] rw [Finset.sum_comm] apply Finset.sum_congr rfl intro a _ calc _ = ∑ j : Fin n, ∫ z, ‖slaterCoordinate φ (spatialOrbitalDerivative φ a) j z‖^2 ∂Measure.pi (fun _ : Fin n => slaterParticleMeasure) := by apply Finset.sum_congr rfl intro j _ exact (he a j).symm _ = _ := slaterCoordinate_sum_norm_sq_integral hl (hd a) ho end CoulombAtom end end OAI