import Mathlib import OAI.Analysis.CoulombIonization.Fermionic.Multiplier import OAI.Analysis.CoulombIonization.FormDomain.LipschitzWeak namespace OAI noncomputable section open MeasureTheory Filter open scoped Topology BigOperators ContDiff open MeasureTheory Filter open scoped Topology BigOperators ContDiff InnerProductSpace Convolution open Filter open scoped Topology InnerProductSpace open MeasureTheory Complex Filter open scoped Topology InnerProductSpace open MeasureTheory Complex Filter open scoped Topology InnerProductSpace ContDiff open MeasureTheory Filter open scoped Topology BigOperators ContDiff InnerProductSpace Convolution open MeasureTheory Filter open scoped Topology BigOperators ContDiff InnerProductSpace namespace CoulombAtom section Multiplier variable {E : Type*} [NormedAddCommGroup E] [NormedSpace ℝ E] [FiniteDimensional ℝ E] [MeasureSpace E] [BorelSpace E] [(volume : Measure E).IsAddHaarMeasure] {ι : Type*} [Fintype ι] structure LipschitzMultiplier (v : ι → E) where value : E → ℝ constant : NNReal lipschitz : LipschitzWith constant value bound : ∃ C : ℝ, ∀ x, |value x| ≤ C omit [Fintype ι] in lemma LipschitzMultiplier.value_memLp {v : ι → E} (p : LipschitzMultiplier v) (F : weakGraph v) : MemLp (fun x => (p.value x : ℂ) * F.val none x) 2 := memLp_bounded_mul p.lipschitz.continuous p.bound (Lp.memLp _) omit [Fintype ι] in lemma LipschitzMultiplier.gradient_memLp {v : ι → E} (p : LipschitzMultiplier v) (F : weakGraph v) (i : ι) : MemLp (fun x => (p.value x : ℂ) * F.val (some i) x + Complex.ofReal (lineDeriv ℝ p.value x (v i)) * F.val none x) 2 := by have hd : MemLp (fun x => Complex.ofReal (lineDeriv ℝ p.value x (v i))) ⊤ := memLp_top_of_bound (Complex.continuous_ofReal.comp_aestronglyMeasurable (aestronglyMeasurable_lineDeriv p.lipschitz.continuous volume)) (p.constant * ‖v i‖) (Eventually.of_forall fun x => by simpa using (norm_lineDeriv_le_of_lipschitz ℝ p.lipschitz (x₀ := x) (v := v i))) exact (memLp_bounded_mul p.lipschitz.continuous p.bound (Lp.memLp _)).add (hd.fun_mul (Lp.memLp (F.val none))) def LipschitzMultiplier.apply {v : ι → E} (p : LipschitzMultiplier v) (F : weakGraph v) : weakGraph v := by let G : WeakGraphAmbient E ι := WithLp.toLp 2 fun k => match k with | none => (p.value_memLp F).toLp _ | some i => (p.gradient_memLp F i).toLp _ refine ⟨G, (mem_weakGraph v G).mpr ?_⟩ intro i exact (((mem_weakGraph v F.val).mp F.property i).mul_lipschitz (Lp.memLp _) (Lp.memLp _) p.lipschitz p.bound).congr_ae (p.value_memLp F).coeFn_toLp.symm (p.gradient_memLp F i).coeFn_toLp.symm omit [Fintype ι] in lemma LipschitzMultiplier.apply_value {v : ι → E} (p : LipschitzMultiplier v) (F : weakGraph v) : ((p.apply F).val none : E → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * F.val none x := (p.value_memLp F).coeFn_toLp omit [Fintype ι] in lemma LipschitzMultiplier.apply_gradient {v : ι → E} (p : LipschitzMultiplier v) (F : weakGraph v) (i : ι) : ((p.apply F).val (some i) : E → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * F.val (some i) x + Complex.ofReal (lineDeriv ℝ p.value x (v i)) * F.val none x := (p.gradient_memLp F i).coeFn_toLp end Multiplier structure FermionLipschitzMultiplier (N : ℕ) extends LipschitzMultiplier (sectorDirections N) where symmetric : ∀ (π : Equiv.Perm (Fin N)) (x : Configuration N), value (x ∘ π) = value x def FermionLipschitzMultiplier.apply {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) : fermionGraph N := by let G : SectorGraph N := WithLp.toLp 2 fun s => p.toLipschitzMultiplier.apply (F.val s) refine ⟨G, (mem_fermionSpace_ae (sectorGraphValue N G)).mpr ?_⟩ intro π s have hl := (permuteConfiguration_preserving π).quasiMeasurePreserving.ae (p.toLipschitzMultiplier.apply_value (F.val (s ∘ π))) filter_upwards [hl, p.toLipschitzMultiplier.apply_value (F.val s), (mem_fermionSpace_ae (sectorGraphValue N F.val)).mp F.property π s] with x hx hy hz change (p.toLipschitzMultiplier.apply (F.val (s ∘ π))).val none (x ∘ π) = (((Equiv.Perm.sign π : ℤ) : ℂ)) * (p.toLipschitzMultiplier.apply (F.val s)).val none x simp only [sectorGraphValue_apply] at hz simp only [permuteConfiguration_apply] at hx rw [hx, hy, p.symmetric, hz] ring lemma FermionLipschitzMultiplier.apply_value {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) : (graphComponent s none (p.apply F) : Configuration N → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * graphComponent s none F x := p.toLipschitzMultiplier.apply_value (F.val s) lemma FermionLipschitzMultiplier.apply_gradient {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i : Fin N) (a : Fin 3) : (graphComponent s (some (i, a)) (p.apply F) : Configuration N → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * graphComponent s (some (i, a)) F x + Complex.ofReal (lineDeriv ℝ p.value x (direction i a)) * graphComponent s none F x := p.toLipschitzMultiplier.apply_gradient (F.val s) (i, a) attribute [local irreducible] graphNuclear graphPair graphComponent FermionLipschitzMultiplier.apply lemma FermionLipschitzMultiplier.apply_nuclear {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i : Fin N) : (graphNuclear s i (p.apply F) : Configuration N → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * graphNuclear s i F x := by filter_upwards [graphNuclear_ae s i (p.apply F), graphNuclear_ae s i F, p.apply_value F s] with x hx hy hz exact hx.trans ((congrArg (fun z : ℂ => z / _) hz).trans ((mul_div_assoc (p.value x : ℂ) _ _).trans (congrArg (fun z : ℂ => (p.value x : ℂ) * z) hy.symm))) lemma FermionLipschitzMultiplier.apply_pair {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i j : Fin N) (hij : i ≠ j) : (graphPair s i j hij (p.apply F) : Configuration N → ℂ) =ᵐ[volume] fun x => (p.value x : ℂ) * graphPair s i j hij F x := by filter_upwards [graphPair_ae s i j hij (p.apply F), graphPair_ae s i j hij F, p.apply_value F s] with x hx hy hz exact hx.trans ((congrArg (fun z : ℂ => z / _) hz).trans ((mul_div_assoc (p.value x : ℂ) _ _).trans (congrArg (fun z : ℂ => (p.value x : ℂ) * z) hy.symm))) lemma FermionLipschitzMultiplier.gradient_ims {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i : Fin N) (a : Fin 3) : ‖graphComponent s (some (i, a)) (p.apply F)‖ ^ 2 - (⟪graphComponent s (some (i, a)) (p.apply (p.apply F)), graphComponent s (some (i, a)) F⟫_ℂ).re = ∫ x, (lineDeriv ℝ p.value x (direction i a)) ^ 2 * ‖graphComponent s none F x‖ ^ 2 := by apply l2_ims_identity p.value (fun x => lineDeriv ℝ p.value x (direction i a)) (graphComponent s (some (i, a)) F) (graphComponent s none F) · exact p.apply_gradient F s i a · filter_upwards [p.apply_gradient (p.apply F) s i a, p.apply_value F s] with x hx hy exact hx.trans (congrArg (fun z : ℂ => (p.value x : ℂ) * graphComponent s (some (i, a)) (p.apply F) x + Complex.ofReal (lineDeriv ℝ p.value x (direction i a)) * z) hy) lemma FermionLipschitzMultiplier.value_pairing {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) : (⟪fermionGraphValue N (p.apply (p.apply F)), fermionGraphValue N F⟫_ℂ).re = ‖fermionGraphValue N (p.apply F)‖ ^ 2 := by rw [graphValue_pairing, graphValue_norm_sq] apply Finset.sum_congr rfl intro s _ exact l2_multiplier_pairing p.value (graphComponent s none F) (graphComponent s none (p.apply F)) (graphComponent s none (p.apply (p.apply F))) (p.apply_value F s) (p.apply_value (p.apply F) s) attribute [local irreducible] formEnergy graphFormVector fermionGraphValue coulombFormOperator lemma FermionLipschitzMultiplier.nuclear_pairing {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i : Fin N) : (⟪graphNuclear s i (p.apply (p.apply F)), graphNuclear s i F⟫_ℂ).re = ‖graphNuclear s i (p.apply F)‖ ^ 2 := l2_multiplier_pairing p.value _ _ _ (p.apply_nuclear F s i) (p.apply_nuclear (p.apply F) s i) lemma FermionLipschitzMultiplier.pair_pairing {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) (s : Spins N) (i j : Fin N) (hij : i ≠ j) : (⟪graphPair s i j hij (p.apply (p.apply F)), graphPair s i j hij F⟫_ℂ).re = ‖graphPair s i j hij (p.apply F)‖ ^ 2 := l2_multiplier_pairing p.value _ _ _ (p.apply_pair F s i j hij) (p.apply_pair (p.apply F) s i j hij) lemma FermionLipschitzMultiplier.kinetic_ims {N : ℕ} (p : FermionLipschitzMultiplier N) (F : fermionGraph N) : (∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, ‖graphComponent s (some (i, a)) (p.apply F)‖ ^ 2) - (∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, (⟪graphComponent s (some (i, a)) (p.apply (p.apply F)), graphComponent s (some (i, a)) F⟫_ℂ).re) = ∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, ∫ x, (lineDeriv ℝ p.value x (direction i a)) ^ 2 * ‖graphComponent s none F x‖ ^ 2 := by simp only [← Finset.sum_sub_distrib] exact Finset.sum_congr rfl fun s _ => Finset.sum_congr rfl fun i _ => Finset.sum_congr rfl fun a _ => p.gradient_ims F s i a lemma FermionLipschitzMultiplier.operator_pairing {N : ℕ} (p : FermionLipschitzMultiplier N) (Z : ℝ) (F : fermionGraph N) : (⟪p.apply (p.apply F), coulombFormOperator Z N F⟫_ℂ).re = (1 / 2 : ℝ) * (∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, (⟪graphComponent s (some (i, a)) (p.apply (p.apply F)), graphComponent s (some (i, a)) F⟫_ℂ).re) - Z * (∑ s : Spins N, ∑ i : Fin N, ‖graphNuclear s i (p.apply F)‖ ^ 2) + (∑ s : Spins N, ∑ i : Fin N, ∑ j : Fin N, if hij : i < j then ‖graphPair s i j (ne_of_lt hij) (p.apply F)‖ ^ 2 else 0) := by calc _ = _ := coulombFormOperator_pairing Z N F (p.apply (p.apply F)) _ = _ := by simp only [p.nuclear_pairing, p.pair_pairing] private lemma lipschitz_ims_arithmetic (K L A B R : ℝ) (h : K - L = R) : (1 / 2 * K - A + B) - (1 / 2 * L - A + B) = 1 / 2 * R := by rw [← h] ring lemma FermionLipschitzMultiplier.form_ims {N : ℕ} (p : FermionLipschitzMultiplier N) (Z : ℝ) (F : fermionGraph N) : formEnergy Z (graphFormVector (p.apply F)) - (⟪p.apply (p.apply F), coulombFormOperator Z N F⟫_ℂ).re = (1 / 2 : ℝ) * (∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, ∫ x, (lineDeriv ℝ p.value x (direction i a)) ^ 2 * ‖graphComponent s none F x‖ ^ 2) := by calc _ = _ := congrArg (fun t : ℝ => t - (⟪p.apply (p.apply F), coulombFormOperator Z N F⟫_ℂ).re) (coulombFormOperator_inner Z N (p.apply F)).symm _ = _ := congrArg₂ (fun a b : ℝ => a - b) (coulombFormOperator_diagonal Z N (p.apply F)) (p.operator_pairing Z F) _ = _ := lipschitz_ims_arithmetic _ _ _ _ _ (p.kinetic_ims F) theorem quantum_ground_multiplier_lipschitz {Z : ℝ} (hZ : 0 ≤ Z) {N : ℕ} (F : fermionGraph N) (hn : ‖fermionGraphValue N F‖ ^ 2 = 1) (hF : formEnergy Z (graphFormVector F) = energy Z N) (p : FermionLipschitzMultiplier N) : formEnergy Z (graphFormVector (p.apply F)) - energy Z N * ‖fermionGraphValue N (p.apply F)‖ ^ 2 = (1 / 2 : ℝ) * (∑ s : Spins N, ∑ i : Fin N, ∑ a : Fin 3, ∫ x, (lineDeriv ℝ p.value x (direction i a)) ^ 2 * ‖graphComponent s none F x‖ ^ 2) := by have he := congrArg Complex.re (quantum_ground_form_equation hZ F hn hF (p.apply (p.apply F))) simp only [Complex.mul_re, Complex.ofReal_re, Complex.ofReal_im, zero_mul, sub_zero, p.value_pairing] at he rw [← he] exact p.form_ims Z F end CoulombAtom open MeasureTheory Filter open scoped Topology BigOperators ContDiff InnerProductSpace ENNReal end end OAI