import Mathlib import OAI.Analysis.CoulombIonization.FormDomain.CoherentSchwartz namespace OAI noncomputable section namespace CoulombAtom open MeasureTheory Filter open scoped Topology BigOperators ContDiff section Work_CompactEigenbasis_scope open MeasureTheory Filter Module open scoped BigOperators ComplexConjugate Topology universe u variable {H : Type u} [NormedAddCommGroup H] [InnerProductSpace ℂ H] [CompleteSpace H] def compactEigenspaceIndex (T : H →L[ℂ] H) (μ : ℂ) : Set (Module.End.eigenspace T.toLinearMap μ) := (exists_hilbertBasis ℂ (Module.End.eigenspace T.toLinearMap μ)).choose def compactEigenspaceBasis (T : H →L[ℂ] H) (μ : ℂ) : HilbertBasis (compactEigenspaceIndex T μ) ℂ (Module.End.eigenspace T.toLinearMap μ) := (exists_hilbertBasis ℂ (Module.End.eigenspace T.toLinearMap μ)).choose_spec.choose abbrev CompactSpectralIndex (T : H →L[ℂ] H) := Σ μ : ℂ, compactEigenspaceIndex T μ def compactSpectralVector (T : H →L[ℂ] H) (i : CompactSpectralIndex T) : H := compactEigenspaceBasis T i.1 i.2 lemma compactSpectralVector_eigen (T : H →L[ℂ] H) (i : CompactSpectralIndex T) : T (compactSpectralVector T i) = i.1 • compactSpectralVector T i := Module.End.mem_eigenspace_iff.mp (compactEigenspaceBasis T i.1 i.2).property lemma compactSpectralVector_orthonormal (T : H →L[ℂ] H) (hT : T.toLinearMap.IsSymmetric) : Orthonormal ℂ (compactSpectralVector T) := hT.orthogonalFamily_eigenspaces.orthonormal_sigma_orthonormal (fun μ => (compactEigenspaceBasis T μ).orthonormal) lemma compactSpectralVector_orthogonal_eq_bot (T : H →L[ℂ] H) (hTc : IsCompactOperator T) (hTs : T.toLinearMap.IsSymmetric) : (Submodule.span ℂ (Set.range (compactSpectralVector T)))ᗮ = ⊥ := by let S := Submodule.span ℂ (Set.range (compactSpectralVector T)) have hs : (⨆ μ, Module.End.eigenspace T.toLinearMap μ) ≤ S.topologicalClosure := by apply iSup_le intro μ y hy let v : Module.End.eigenspace T.toLinearMap μ := ⟨y,hy⟩ have hh := ((compactEigenspaceBasis T μ).hasSum_repr v).mapL (Module.End.eigenspace T.toLinearMap μ).subtypeL apply mem_closure_of_tendsto hh apply Eventually.of_forall intro s apply Submodule.sum_mem intro i _ change ((compactEigenspaceBasis T μ).repr v i) • (compactSpectralVector T ⟨μ,i⟩) ∈ S exact S.smul_mem _ (Submodule.subset_span ⟨⟨μ,i⟩,rfl⟩) apply le_antisymm _ bot_le rw [← S.orthogonal_closure] exact (Submodule.orthogonal_le hs).trans (ContinuousLinearMap.orthogonalComplement_iSup_eigenspaces_eq_bot hTc hTs).le def compactSpectralBasis (T : H →L[ℂ] H) (hTc : IsCompactOperator T) (hTs : T.toLinearMap.IsSymmetric) : HilbertBasis (CompactSpectralIndex T) ℂ H := HilbertBasis.mkOfOrthogonalEqBot (compactSpectralVector_orthonormal T hTs) (compactSpectralVector_orthogonal_eq_bot T hTc hTs) lemma compactSpectralBasis_apply (T : H →L[ℂ] H) (hTc : IsCompactOperator T) (hTs : T.toLinearMap.IsSymmetric) (i : CompactSpectralIndex T) : compactSpectralBasis T hTc hTs i = compactSpectralVector T i := by rw [compactSpectralBasis,HilbertBasis.coe_mkOfOrthogonalEqBot] lemma compactSpectralBasis_eigen (T : H →L[ℂ] H) (hTc : IsCompactOperator T) (hTs : T.toLinearMap.IsSymmetric) (i : CompactSpectralIndex T) : T (compactSpectralBasis T hTc hTs i) = i.1 • compactSpectralBasis T hTc hTs i := by simp only [compactSpectralBasis_apply,compactSpectralVector_eigen] end Work_CompactEigenbasis_scope section Work_HilbertCountable_scope open scoped Topology universe u v lemma orthonormal_countable {H : Type u} {ι : Type v} [NormedAddCommGroup H] [InnerProductSpace ℂ H] [TopologicalSpace.SeparableSpace H] {v : ι → H} (hv : Orthonormal ℂ v) : Countable ι := by have hd : Pairwise (fun i j => Disjoint (Metric.ball (v i) (1/2 : ℝ)) (Metric.ball (v j) (1/2 : ℝ))) := by intro i j hij apply Metric.ball_disjoint_ball have hs : ‖v i-v j‖^2 = 2 := by rw [norm_sub_sq (𝕜 := ℂ),hv.norm_eq_one,hv.norm_eq_one,hv.inner_eq_zero hij] norm_num rw [dist_eq_norm] nlinarith [norm_nonneg (v i-v j)] exact hd.countable_of_isOpen_disjoint (fun _ => Metric.isOpen_ball) (fun _ => Metric.nonempty_ball.mpr (by norm_num)) end Work_HilbertCountable_scope section Work_HilbertTrace_scope open MeasureTheory Filter open scoped BigOperators Topology universe u v w variable {H : Type u} {ι : Type v} [NormedAddCommGroup H] [InnerProductSpace ℂ H] lemma hilbertBasis_hasSum_norm_inner (b : HilbertBasis ι ℂ H) (x : H) : HasSum (fun i => ‖inner ℂ (b i) x‖^2) (‖x‖^2) := by simpa only [ENNReal.toReal_ofNat,Real.rpow_two,b.repr_apply_apply, LinearIsometryEquiv.norm_map] using lp.hasSum_norm (by norm_num : 0 < (2:ENNReal).toReal) (b.repr x) lemma hilbertBasis_frame_trace {α : Type w} [MeasurableSpace α] (μ : Measure α) (b : HilbertBasis ι ℂ H) [Countable ι] (v : α → H) (hv : AEStronglyMeasurable v μ) (hn : Integrable (fun x => ‖v x‖^2) μ) : HasSum (fun i => ∫ x, ‖inner ℂ (b i) (v x)‖^2 ∂μ) (∫ x, ‖v x‖^2 ∂μ) := by have hmeas (i : ι) : AEStronglyMeasurable (fun x => ‖inner ℂ (b i) (v x)‖^2) μ := (((continuous_const.inner continuous_id).norm.pow 2).comp_aestronglyMeasurable hv) apply hasSum_integral_of_dominated_convergence (fun i x => ‖inner ℂ (b i) (v x)‖^2) hmeas · intro i exact Eventually.of_forall (fun x => (Real.norm_of_nonneg (sq_nonneg _)).le) · exact Eventually.of_forall (fun x => b.orthonormal.inner_products_summable (v x)) · convert hn using 1 ext x exact (hilbertBasis_hasSum_norm_inner b (v x)).tsum_eq · exact Eventually.of_forall (fun x => hilbertBasis_hasSum_norm_inner b (v x)) end Work_HilbertTrace_scope open MeasureTheory Filter open scoped BigOperators ComplexConjugate ContDiff Topology instance orbitalHilbert_secondCountable : SecondCountableTopology OrbitalHilbert := by let : Fact ((2 : ENNReal) ≠ ⊤) := ⟨ENNReal.ofNat_ne_top⟩ infer_instance abbrev CoherentIndex {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) := CompactSpectralIndex (coherentOperator hg hcg μ) def coherentBasis {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] : HilbertBasis (CoherentIndex hg hcg μ) ℂ OrbitalHilbert := compactSpectralBasis _ (coherentOperator_compact hg hcg μ) (coherentOperator_positive hg hcg μ).isSymmetric instance coherentIndex_countable {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] : Countable (CoherentIndex hg hcg μ) := orthonormal_countable (coherentBasis hg hcg μ).orthonormal lemma coherentBasis_eigen {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : coherentOperator hg hcg μ (coherentBasis hg hcg μ i) = i.1 • coherentBasis hg hcg μ i := compactSpectralBasis_eigen _ _ _ i lemma coherentBasis_inner_eigen {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : inner ℂ (coherentBasis hg hcg μ i) (coherentOperator hg hcg μ (coherentBasis hg hcg μ i)) = i.1 := by rw [coherentBasis_eigen,inner_smul_right,inner_self_eq_norm_sq_to_K, (coherentBasis hg hcg μ).orthonormal.norm_eq_one] simp lemma coherentBasis_eigenvalue_eq {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : i.1 = (((2*Real.pi)^3)⁻¹ * ∫ q, ‖inner ℂ (coherentBasis hg hcg μ i) (coherentVector hg hcg q)‖^2 ∂μ : ℝ) := by rw [← coherentBasis_inner_eigen hg hcg μ i,coherentOperator_inner] congr 2 apply integral_congr_ae exact Eventually.of_forall (fun q => congrArg (fun t : ℝ => t^2) (norm_inner_symm _ _)) def coherentWeight {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) (i : CoherentIndex hg hcg μ) : ℝ := i.1.re lemma coherentWeight_eq {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : coherentWeight hg hcg μ i = ((2*Real.pi)^3)⁻¹ * ∫ q, ‖inner ℂ (coherentBasis hg hcg μ i) (coherentVector hg hcg q)‖^2 ∂μ := by rw [coherentWeight,coherentBasis_eigenvalue_eq,Complex.ofReal_re] lemma coherentWeight_nonneg {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : 0 ≤ coherentWeight hg hcg μ i := by rw [coherentWeight_eq] exact mul_nonneg (by positivity) (integral_nonneg (fun _ => sq_nonneg _)) lemma coherentBasis_real_eigen {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (i : CoherentIndex hg hcg μ) : coherentOperator hg hcg μ (coherentBasis hg hcg μ i) = coherentWeight hg hcg μ i • coherentBasis hg hcg μ i := by rw [coherentBasis_eigen,coherentBasis_eigenvalue_eq,coherentWeight_eq] rw [Complex.coe_smul] rfl lemma coherentWeight_le_one {g : Space → ℂ} (hg : ContDiff ℝ ∞ g) (hcg : HasCompactSupport g) (hgn : ∫ x : Space, ‖g x‖^2 = 1) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] (hμ : μ ≤ volume) (i : CoherentIndex hg.continuous hcg μ) : coherentWeight hg.continuous hcg μ i ≤ 1 := by have h := coherentOperator_quadratic_le hg hcg hgn μ hμ (coherentBasis hg.continuous hcg μ i) rw [coherentBasis_inner_eigen,(coherentBasis hg.continuous hcg μ).orthonormal.norm_eq_one] at h change i.1.re ≤ 1 simpa only [one_pow] using h lemma coherentWeight_hasSum {g : Space → ℂ} (hg : Continuous g) (hcg : HasCompactSupport g) (μ : Measure (Space × Space)) [IsFiniteMeasure μ] : HasSum (coherentWeight hg hcg μ) (((2*Real.pi)^3)⁻¹ * μ.real Set.univ * ∫ x : Space, ‖g x‖^2) := by have hn : Integrable (fun q => ‖coherentVector hg hcg q‖^2) μ := by simp_rw [coherentVector_norm_sq] exact integrable_const _ have ht := hilbertBasis_frame_trace μ (coherentBasis hg hcg μ) (coherentVector hg hcg) (coherentVector_continuous hg hcg).aestronglyMeasurable hn have he : (∫ q, ‖coherentVector hg hcg q‖^2 ∂μ) = μ.real Set.univ * ∫ x : Space, ‖g x‖^2 := by simp only [coherentVector_norm_sq,integral_const,smul_eq_mul] rw [he] at ht have hsum := ht.mul_left (((2*Real.pi)^3)⁻¹) have hf : coherentWeight hg hcg μ = (fun i => ((2*Real.pi)^3)⁻¹ * ∫ q, ‖inner ℂ (coherentBasis hg hcg μ i) (coherentVector hg hcg q)‖^2 ∂μ) := funext (coherentWeight_eq hg hcg μ) rw [hf,mul_assoc] exact hsum end CoulombAtom end end OAI