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Qm Math Coulomb — Examples

1 · Prerequisites

2 · Summary

The companion page to qm-math-coulomb records three explicit mathematical checks behind its normalisation, completeness and two-body results. All three items are mathematics: they carry domain: mathematics, depend only on the items of the parent page and on mathematical suppliers, and make no physical or empirical claim.

Hydrogen ground normalization re-verifies by elementary one-variable integration that (γ3/8π)1/2e−r/a0 has unit L2 norm, that it is an eigenvector of C with eigenvalue −γ2/4 by direct differentiation of e−r/a0, and that the radial law 4r2a0−3e−2r/a0 integrates to 1 with mean 3a0/2; the constants agree with the L0(1)=1 special case of the general Laguerre solution.

No full discrete eigenbasis exhibits a concrete vector ψ=g(r)Y00(Ω)/r, with g compactly supported and ∫φ0(1,r)g(r)dr=1, whose spectral measure has positive mass on (0,∞) by the explicit density of the parent page; hence the bound states alone do not span L2(R3) and the nonnegative continuous spectral projection is indispensable.

Relative versus total bound state compares the relative and total operators: the product vector φ⊗u1 of a centre-of-mass test function with the relative ground state satisfies (TR⊗I+I⊗Cμ)Ψ=E1Ψ+(TRφ)⊗u1, so it is not an eigenvector and its energy lies strictly above the bottom E1 of the two-body spectrum; the relative bound energy is a threshold of the total continuous spectrum, not an eigenvalue.

3 · Logical flowchart

4 · Definitions, postulates, theorems and proofs

None yet.

5 · Examples, experiments and counterexamples

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Hydrogen ground normalization

Example

Assume the Axiom of Countable Choice (The Axiom of Countable Choice (ACω)). Let γ>0, a0:=2/γ, and let ψ100(x):=(γ38π)1/2e−r/a0(x=rΩ, r=∣x∣), the ground vector of C=−Δ−γ/∣x∣ on exactly D(C)=H2(R3;C), as directly proved below under CC. This example re-verifies, by elementary one-variable integration, that:

(a) ∥ψ100∥L2=1;

(b) ψ100∈D(C) and Cψ100=−γ24ψ100, as checked by differentiating e−r/a0 directly;

(c) the radial law p(r)=4r2a0−3e−2r/a0 integrates to 1 and has mean 3a0/2;

(d) the exact same constants arise from the closed form of the Laguerre polynomial L0(1)=1, so the normalization is a special case of the general polynomial-exponential solution.

Verification

Given: γ>0, α=γ/2=1/a0, ψ100=Ne−α∣x∣ with N=(γ3/(8π))1/2, p(r)=4r2a0−3e−2r/a0 and Countable Choice. Use the first-variable-linear L2 inner product. Define T=F2∗M4π2∣ξ∣2F2 on its maximal domain; the CC Sobolev Fourier characterization identifies D(T)=H2.

[F1] Y00=1/4π and σ(S2)=4π; the polar decomposition of Lebesgue measure holds (Sphere ONB, Sphere integrals in angle coordinates, Polar coordinates decompose Lebesgue measure into r^{n-1} dr d sigma).

[F3] The unitary Fourier and exact Sobolev/domain interfaces under CC are Plancherel theorem, Distributional derivatives are polynomial Fourier multipliers, Integer-order W^{k,2} and H^k agree with equivalent norms and Integer-order Sobolev spaces and their norms. Hardy gives ∥u/r∥2≤2∥∇u∥2 on H1 (Three-dimensional Hardy bound (c)). Smooth Sobolev density, divergence, Cauchy–Schwarz, Tonelli and dominated convergence are Compactly supported smooth functions are dense in W^{k,p}(R^n), Vector forms: the boundary integrals of fn and of n×F, Cauchy-Schwarz inequality for L2, Tonelli's theorem for nonnegative measurable functions on a sigma-finite product and Dominated convergence. The exact adjoint/symmetry definitions are Symmetric, self-adjoint and essentially self-adjoint operators, Adjoint of a densely defined operator; CC double orthogonal complement follows from Orthogonal decomposition by a closed subspace. The realization and ground domain are proved locally below, with no AC-bearing Coulomb theorem as a hidden logical premise.

1.1F1F2givenalgebra

[Normalization] By polar coordinates and [F2], ∥ψ100∥22=N24π∫0∞r2e−2αrdr=(γ3/2)2/γ3=1.

1.2F3givenalgebra

[Free maximal realization without arbitrary choice] For the real multiplier t(ξ)=4π2∣ξ∣2, truncate any g∈L2 to gn=1{t≤n}g to prove density of D(Mt). It is symmetric because t is real. If g∈D(Mt∗) with adjoint value h, testing against every L2 function supported in {t≤n} gives h=tg there. These sets increase to all space, so tg=h∈L2 and D(Mt∗)=D(Mt). Thus Mt and its unitary conjugate T are self-adjoint, with D(T)=H2 by [F3]. For z∉R, R0(z)=F2∗M(t−z)−1F2 is the actual two-sided inverse, since t/(t−z) is bounded and (T−z)R0(z)=I, R0(z)(T−z)=I on D(T).

2.1step 1.2F3algebra

[Hardy relative bound and Neumann realization] Put Bu=−γu/r for u∈H2. By [F3] and Fourier Cauchy–Schwarz, ∥Bu∥2≤2γ∥∇u∥2≤2γ∥Tu∥21/2∥u∥21/2≤ε∥Tu∥2+γ2ε−1∥u∥2 for every ε>0. Choose Y>16γ2 and ε=1/4. The exact free multipliers give ∥TR0(±iY)∥≤1, ∥R0(±iY)∥≤1/Y, and hence ∥BR0(±iY)∥<1/2. The operator series ∑j≥0(−BR0(±iY))j converges in norm, and R0(±iY)(I+BR0(±iY))−1 maps into D(T) and is the two-sided inverse of C∓iY for C=T+B on H2. This proves surjectivity of both nonreal signs with the exact factor order.

2.2step 1.1F1F2algebra

[Radial law and moments] By [F1], p(r)=r2∫S2∣ψ100(rΩ)∣2dσ=4a0−3r2e−2r/a0. By [F2], its integral is 4a0−32/(2/a0)3=1 and its first moment is 4a0−36/(2/a0)4=3a0/2.

3.1step 2.1algebra

[Exact adjoint domain] C is densely defined and symmetric because both T and the real multiplication B are symmetric on H2. Let y∈D(C∗), fix z=iY, and let x=(C−z)−1(C∗−z)y∈D(C). Then (C∗−z)(y−x)=0. Since ran⁡(C−z‾)=L2, adjoint pairing shows ker⁡(C∗−z)={0}; consequently y=x∈D(C). Thus D(C∗)=D(C)=H2 and C=C∗, not merely a formally symmetric differential expression. All constructions are explicit sequences/truncations or single-vector existential arguments under CC.

4.1step 3.1F1F2F3algebra

[Weak H2 domain of the actual exponential] On r>0 let f=e−αr and Ωi=xi/r. Its classical derivatives are ∂if=−αfΩi and ∂j∂if=α2fΩiΩj−αf(δij−ΩiΩj)/r. Each is in L2(R3): the first derivatives are bounded times an exponential and second derivatives are bounded by 2α2f+2αf/r, with ∫01r2/r2 dr<∞ and exponential tails. These are also the weak derivatives on all space. Indeed, integrate against a compactly supported smooth test function over r>δ and let δ↓0; each inner-sphere boundary term has magnitude bounded by a constant times its area 4πδ2, because f and its first derivatives are bounded. It tends to zero, and the volume integrals converge since the displayed derivatives are locally integrable. Thus no origin-supported delta term is present and f∈H2, even though it is not classically differentiable at zero. Summing the weak second derivatives gives −Δf=(−α2+2α/r)f almost everywhere; hence Cf=−α2f because γ=2α. Multiplication by N preserves the domain and gives the claimed eigenvalue −γ2/4.

5.1step 4.1F3algebra

[The level is the ground level, locally] For a compactly supported smooth v, integrate div⁡Ω=2/r on punctured balls; the inner flux of ∣v∣2Ω is O(δ2) and vanishes. Expanding the square gives ∥∇v+αΩv∥22=∥∇v∥22+α2∥v∥22−2α∫∣v∣2/r. By H1 smooth density and the Hardy inequality, all these terms extend continuously to H1: for example ∫∣v∣2/r≤∥v/r∥2∥v∥2. For v∈D(C)=H2, Fourier pairing then gives ⟨Cv,v⟩+α2∥v∥22=∥∇v+αΩv∥22≥0. Thus C≥−α2. For any real λ<−α2, Cauchy–Schwarz gives ∥(C−λ)v∥2≥(−α2−λ)∥v∥2; self-adjointness makes its range closed, and the orthogonal complement of the range is ker⁡(C−λ)={0}, so its range is all L2 and its inverse is bounded. Such λ is outside the spectrum. Step 4.1 supplies an eigenvector at the lower bound, so this is a ground vector. No negative-spectrum theorem or AC spectral calculus is needed.

5.2step 1.1step 4.1F1F2algebra

[Degree-zero Laguerre identity without Kummer dependence] The degree-zero generalized Laguerre polynomial is L0(a)(s)=1: equivalently the degree-zero normalized solution of sv′′+(a+1−s)v′=0 is v≡1. In the reduced l=0 equation −u′′−γu/r=−α2u, substitution u=re−αrv(2αr) produces sv′′+(2−s)v′=0 since γ=2α. Its degree-zero normalized solution L0(1)=1 therefore gives exactly u=re−αr. Normalization supplies u10=2a0−3/2re−r/a0 and ψ100=u10Y00/r with the same constant as step 1.1. This is the claimed special polynomial-exponential case; it does not invoke a general radial completeness theorem.

6.1step 1.1step 3.1step 4.1step 5.1step 2.2step 5.2∎

[Conclusion] Steps 1.1, 4.1, 2.2 and 5.2 prove (a)–(d), and steps 1.2, 2.1 and 3.1 prove its exact self-adjoint realization, step 4.1 proves the weak ground-vector domain, and step 5.1 proves the ground lower bound under CC alone.

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No full discrete eigenbasis

Example

Assume the Axiom of Countable Choice and the Axiom of Choice (The Axiom of Countable Choice (ACω), The Axiom of Choice). Let γ>0, let C=−Δ−γ/∣⋅∣ on H2(R3;C) be as above, and fix g∈Cc∞((0,∞);C) with ∫0∞φ0(1,r)g(r) dr=1, where φ0(1,⋅) is the regular solution of Coulomb Jost Volterra solution at k=1, l=0. Such a g exists because φ0(1,⋅) is nonzero and locally square-integrable. Put ψ(x):=g(r)rY00(Ω)(x=rΩ). This example verifies concretely that:

(a) ψ∈L2(R3;C) and the coefficients of ψ in the polar decomposition of Angular radial unitary reduction vanish except in the (0,0)-block, where they equal g;

(b) ⟨EC((0,∞))ψ,ψ⟩=∫0∞ρ0(E)∣∫0∞φ0(E,r)g(r)dr∣2dE>0;

(c) consequently the closed span of the bound states (ψnlm) of Negative-subspace completeness and degeneracy is a proper subspace of L2(R3;C): the bound states alone are not a complete eigenbasis, and the nonnegative continuous spectral projection is indispensable.

Verification

Given: γ>0, the source g with the displayed normalization, the function ψ, and the operators C,A0 with their spectral measures.

Proof technique: explicit computation with the unitary polar decomposition and the spectral density; positivity of a continuous nonzero integrand.

[F1] The polar unitary U of Angular radial unitary reduction maps the block function r−1g(r)Y00(Ω) to the vector with (0,0)-entry g and all other entries 0, and ∥r−1gY00∥2=∥g∥2; Cc∞((0,∞))⊆L2(0,∞) is dense and φ0(1,⋅)≠0 (Coulomb Jost Volterra solution, The space Lp(μ) as the quotient by null functions, Complex Lp classes and Euclidean test-function conventions).

[F2] Spectral density of A0 for compactly supported sources: for every 0<a<b, ⟨EA0((a,b))g,g⟩=∫abρ0(E)∣∫0∞φ0(E,r)g(r)dr∣2dE with ρ0(E)>0; the identity of measures extends to all Borel sets in (0,∞) (Coulomb continuum spectral density).

[F3] The block identity UCU∗=⨁(l,m)Al; the negative spectral subspace of C is the closed span of the bound states, which is U−1 of the corresponding direct sum of negative eigenspaces of the Al (Transported radial endpoint realization, Negative-subspace completeness and degeneracy, Coulomb essential spectrum).

[F4] Complex conjugation and continuity: E↦∫0∞φ0(E,r)g(r)dr is continuous on (0,∞) (it is a pairing against a smooth family of solutions, Coulomb Jost Volterra solution, Continuity of f:A→R at a point of A and on A: the ε-δ condition, its agreement with lim⁡x→cf(x)=f(c) at a limit point, and continuity at an isolated point), and Cauchy-Schwarz bounds the expression (Cauchy-Schwarz inequality for L2, Hilbert space).

1.1F1givenalgebra

[The vector and its coefficients] Since g is compactly supported in (0,∞) and Y00 is bounded, ψ is a finite-block element in L2; by [F1] its polar transform is supported in the (0,0)-block with entry g, so ∥ψ∥2=∥g∥2<∞ and ψ≠0. This is (a).

2.1step 1.1F2F3F4algebra

[Positive continuous-spectrum component] The function h(E):=∫0∞φ0(E,r)g(r)dr is continuous by [F4] and satisfies h(1)=1 by the choice of g; hence there is δ>0 with ∣h(E)∣≥1/2 on (1−δ,1+δ). By [F2] and the block identity [F3], ⟨EC((0,∞))ψ,ψ⟩=⟨EA0((0,∞))g,g⟩=∫0∞ρ0(E)∣h(E)∣2dE≥∫1−δ1+δρ0(E)∣h(E)∣2dE≥14∫1−δ1+δρ0(E)dE>0, because ρ0>0 and the interval has positive length. This is (b).

3.1step 2.1F3algebra

[The bound states do not span L2] The negative spectral subspace EC((−∞,0))L2 is exactly the closed span of the bound states by [F3]; since (0,∞) and (−∞,0) are disjoint Borel sets, the spectral projections are orthogonal, so the component EC((0,∞))ψ≠0 of step 2.1 is orthogonal to the whole negative spectral subspace. Hence ψ is not in the closed span of the bound states, which is therefore a proper subspace of L2(R3;C). This is (c).

4.1step 1.1step 2.1step 3.1∎

[Conclusion] Parts (a), (b), (c) are steps 1.1, 2.1 and 3.1.

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Relative versus total bound state

Example

Assume the Axiom of Countable Choice and the Axiom of Choice (The Axiom of Countable Choice (ACω), The Axiom of Choice). Let m1,m2,μ,M,κ,ℏ be as in Two-body reduced mass, let Cμ and TR be the relative and centre-of-mass kinetic operators there, let u1∈L2(Rr3) be any nonzero relative ground vector with Cμu1=E1u1, where E1=−μκ22ℏ2, and let φ∈Cc∞(RR3;C) be a nonzero centre-of-mass test function. Consider the product vector Ψ:=φ⊗u1∈L2(RR3)⊗^L2(Rr3), viewed as an element of L2(R6) through the identification of Euclidean L² product unitary: L²(R^a)⊗̂L²(R^b) ≅ L²(R^{a+b}). This example verifies that:

(a) (TR⊗I+I⊗Cμ)Ψ=E1Ψ+(TRφ)⊗u1, and TRφ≠0, so Ψ is not an eigenvector of the two-body operator;

(b) ⟨(TR⊗I+I⊗Cμ)Ψ,Ψ⟩=∥u1∥2(E1∥φ∥2+⟨TRφ,φ⟩)>E1∥Ψ∥2: the product vector has energy strictly above the bottom E1 of the two-body spectrum, and the bottom is not attained. When ∥u1∥=1, the identity reduces to E1∥φ∥2+⟨TRφ,φ⟩;

(c) the relative bound state u1 is an eigenvector of the relative operator Cμ, but the two-body operator has no eigenvalues at all (Two-body reduced mass (d)); the relative bound energy is a threshold of the continuous spectrum of the total operator, so "relative bound state" and "bound state of the two-body problem" are distinct notions.

Verification

Given: the constants and operators TR,Cμ,M,μ,κ,ℏ; the relative ground state u1; the test function φ; the product vector Ψ.

Proof technique: direct computation with the tensor decomposition and the positivity of TR.

[F1] Cμu1=E1u1 with E1=−μκ22ℏ2 and 0<∥u1∥<∞, and Cμ≥E1 on its form domain (Laguerre bound energy exhaustion, Transported radial endpoint realization).

[F2] Tensor identities: (A⊗I)(u⊗φ)=(Au)⊗φ and (I⊗B)(u⊗φ)=u⊗(Bφ) on the appropriate domains, and ⟨u⊗φ,u′⊗φ′⟩=⟨u,u′⟩⟨φ,φ′⟩ (Euclidean L² product unitary: L²(R^a)⊗̂L²(R^b) ≅ L²(R^{a+b}), Hilbert space).

[F3] TR≥0, TRφ≠0 for every nonzero φ∈Cc∞(RR3): if TRφ=0, then the Fourier transform satisfies 4π2ℏ22M∣ξ∣2φ^(ξ)=0 a.e., hence φ^=0 a.e. off ∣ξ∣=0, and since {0} is null, φ=0 (Real multiplication operators and free plus bounded-potential Schrödinger operators, Plancherel theorem, Distributional derivatives are polynomial Fourier multipliers).

[F4] Cauchy-Schwarz and sesquilinearity of the inner product for the displayed computations (Cauchy-Schwarz inequality for L2, The space Lp(μ) as the quotient by null functions, Complex Lp classes and Euclidean test-function conventions).

1.1F1F2F3algebra

[The product vector is not an eigenvector] By [F2], (TR⊗I)Ψ=(TRφ)⊗u1 and (I⊗Cμ)Ψ=φ⊗(Cμu1)=φ⊗E1u1=E1Ψ by [F1]; hence (TR⊗I+I⊗Cμ)Ψ=E1Ψ+(TRφ)⊗u1, and the difference from E1Ψ is (TRφ)⊗u1. By [F3] TRφ≠0 and u1≠0, so this difference is nonzero: Ψ is not an eigenvector at E1. The full no-eigenvalue result Two-body reduced mass (d) also rules out every other energy, so Ψ is not an eigenvector at any energy. This is (a).

2.1step 1.1F1F2F3F4algebra

[Energy strictly above the threshold] Taking pairings with Ψ and using [F2] and [F1], ⟨(TR⊗I+I⊗Cμ)Ψ,Ψ⟩=∥u1∥2⟨TRφ,φ⟩+∥u1∥2E1∥φ∥2=∥u1∥2(E1∥φ∥2+⟨TRφ,φ⟩), and ⟨TRφ,φ⟩=4π2ℏ22M∫∣ξ∣2∣φ^(ξ)∣2dξ>0 by [F3] applied to the nonzero function φ (the integrand is nonnegative and not a.e. zero). Hence the energy of Ψ is strictly larger than E1∥Ψ∥2, and since ∥Ψ∥2=∥φ∥2∥u1∥2, Ψ/∥Ψ∥ is a unit vector with energy E1+⟨TRφ,φ⟩/∥φ∥2>E1, this vector lies strictly above the bottom E1 of the spectrum; by the no-eigenvalue theorem of Two-body reduced mass (d) no nonzero vector at all attains E1. This is (b).

3.1step 2.1F1algebra

[Relative eigenvalue versus total spectrum] The relative vector u1 is an eigenvector of Cμ at E1 by [F1]; but by the actual no-eigenvalue theorem of Two-body reduced mass (d), no nonzero vector at all satisfies the two-body eigenvalue equation, and E1 is the bottom of the continuous spectrum of the total operator. This is (c).

4.1step 1.1step 2.1step 3.1∎

[Conclusion] Parts (a), (b), (c) are steps 1.1, 2.1 and 3.1.

Remarks

If u1 is twice a unit ground vector, the unnormalized product energy is four times the unit-ground-vector expression. The factor ∥u1∥2 retains all nonzero relative ground vectors and cancels in the normalized product energy.

Sources