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The one-centre Coulomb model: position and radial distributions of the bound states, with the ground-state density and its scales

Physical scope

A conditional consequence of P1, P2, P4, P5 and the declared one-centre Coulomb model: the position outcome law of any normalised bound eigenvector, the radial density |u_nl|^2/||u_nl||^2 times the angular spherical-harmonic weight for each labelled separated vector, the finite-superposition law and radial mixture for a general bound eigenvector, and the explicit ground-state density, its mean radius 3 a_kappa/2, its mode a_kappa, the positivity of the probability in every ball around the origin and the absence of an atomic probability at the origin. The scales a_kappa and the density are model data; the item asserts no measured radius, no orbit, no trajectory, no formation or decay process, and does not identify a_kappa with any measured length.

Statement

Adopt the framework postulates P1, P2, P4 and P5, the readings of the declared one-centre Coulomb model The declared Coulomb and two-body hydrogen model: one-centre operator, relative problem, reduced mass and scope exclusions clauses (a)-(c) with parameters ℏ>0, m>0, κ>0 and length scale aκ=ℏ2/(mκ), the energy-observable reading of The one-centre Coulomb model: energy observable, flow, stationary states and spectral support, the bound-state data of The one-centre Coulomb model: bound energies, n^2-degeneracy, completeness of the bound states in the negative spectral subspace and the continuum, and the spin-zero position law Position and momentum outcome laws of the massive spin-s model (State and composition postulate P1: Hilbert spaces, preparations and composite systems, Observable and probability postulate P2: self-adjoint observables, spectral probability and finite unsharp outcomes, Autonomous dynamics postulate P4: self-adjoint generators and unitary evolution, Kinematics and massive-particle model postulate P5: Newtonian frames and one-particle operators, Assigned sharp observables and the outcome law of the framework). Assume the Axiom of Countable Choice and the Axiom of Choice (The Axiom of Countable Choice (ACω), The Axiom of Choice). For the integer labels n≥1, 0≤l≤n−1, −l≤mˉ≤l with magnetic label mˉ distinct from mass m, let ψnlmˉ and Ψnlmˉ=ψnlmˉ/∥ψnlmˉ∥ be the bound vectors of the cited theorem, and write unl for the reduced regular solution with ψnlmˉ(x)=unl(r)Ylmˉ(Ω)/r. Then:

(a) for every label and every Borel B⊆R3 the position outcome law in the unit preparation [Ψnlmˉ] is μΨnlmˉG(B)=∥ψnlmˉ∥−2∫0∞∣unl(r)∣2(∫S21B(rΩ) ∣Ylmˉ(Ω)∣2 dσ(Ω))dr; in particular, for a radial set B={x:a<∣x∣<b} with 0≤a<b≤+∞ one has μΨnlmˉG(B)=1∥unl∥22∫ab∣unl(r)∣2 dr, so the radial density pnl(r):=∣unl(r)∣2/∥unl∥22 is a probability density on (0,∞): pnl≥0 and ∫0∞pnl(r) dr=1;

For a general unit bound eigenvector χ with Hκχ=Enχ, write χ=∑l=0n−1∑mˉ=−llblmˉΨnlmˉ, where ∑l,mˉ∣blmˉ∣2=1, and set u^nl:=unl/∥unl∥2. Then μχG(B)=∫0∞∫S21B(rΩ)∣∑l=0n−1∑mˉ=−llblmˉu^nl(r)Ylmˉ(Ω)∣2dσ(Ω) dr, and its radial marginal has density pχ(r)=∑l=0n−1∑mˉ=−ll∣blmˉ∣2pnl(r). The general position density includes interference terms and need not factor as a single pnl times one spherical-harmonic weight.

(b) for n=1,l=mˉ=0 the normalized vector Ψ100 has a representative of the form Ψ100(x)=ζ100(πaκ3)−1/2e−r/aκ,∣ζ100∣=1, and its radial density is p10(r)=4r2aκ−3e−2r/aκ; the mean of p10 is ∫0∞r p10(r) dr=3aκ/2, the unique maximum of p10 is at r=aκ, the spatial density of this representative is ∣Ψ100∣2=1πaκ3e−2r/aκ, strictly decreasing in r and maximal at the origin, and for every ε>0 μΨ100G({∣x∣<ε})=16(2εaκ)3+O((εaκ)4)>0, which tends to 0 as ε↓0: the density maximum at the origin is not an atom of probability at any point;

(c) for every label the reduced solution has the polynomial-exponential form unl(r)=cnl rl+1e−r/(naκ)Ln−l−1(2l+1)(2r/(naκ))(cnl≠0), with Lj(a) the Laguerre polynomial of integer order, so the radial density of the level (n,l) is a polynomial times r2l+2 times a decreasing exponential, and its normalisation constant is fixed by ∫0∞∣unl∣2dr=∥ψnlmˉ∥2;

(d) Reading and scope. The statements are conditional on P1, P2, P4, P5, the declared Coulomb model and the cited mathematics. The radial density is the reading of the model's position observable on radial sets; it is not a trajectory, an orbit or a definite distance, and the model assigns positive probability to every open ball around the origin and to arbitrarily large radii. No measured radius, no measured density and no identification of aκ with a laboratory length is asserted; numerical comparison requires the measured constants as qualified empirical inputs and is deferred.

Facts & Assumptions

Given: The declared one-centre Coulomb model with ℏ,m,κ>0, aκ=ℏ2/(mκ), γ=2mκ/ℏ2 and bound vectors ψnlmˉ, Ψnlmˉ; the polar unitary and spherical harmonics of the angular-radial theory; the Axiom of Countable Choice and the Axiom of Choice.

[F1]

Bound vectors as reduced solutions. For every n≥1, 0≤l≤n−1, −l≤mˉ≤l one has ψnlmˉ(x)=unl(r)Ylmˉ(Ω)/r with unl the regular solution of the radial equation at k=γ/(2n), the functions ψnlmˉ lie in D(Hκ) with Hκψnlmˉ=Enψnlmˉ, and the normalised family (Ψnlmˉ) is orthonormal (Negative-subspace completeness and degeneracy clauses (a), (b), The one-centre Coulomb model: bound energies, n^2-degeneracy, completeness of the bound states in the negative spectral subspace and the continuum clauses (a), (b)). Every unit bound eigenvector at En has a finite expansion in the orthonormal vectors Ψnlmˉ with 0≤l≤n−1, −l≤mˉ≤l, with squared coefficient moduli summing to one (clause (b) of the latter theorem).

[F2]

Regular solutions. The regular solution has the closed form ureg(r)=c rl+1e−krLj(2l+1)(2kr) with j=γ/(2k)−l−1∈N0 and c≠0, where Lj(a)(x)=∑i=0j(−1)i(j+aj−i)xi/i! is the j-th Laguerre polynomial of order a; it is C∞ on (0,∞) and square integrable in this terminating case (Kummer recurrence and termination clauses (c), (d)); the nonterminating regular solution is not square integrable by Laguerre bound energy exhaustion clause (a).

[F3]

Ground-state data and dimensionless ball bound. Write a0:=2/γ. The normalized ground eigenvector supplied by Ground radial probability and units has a representative ϕ100(x)=(γ3/8π)1/2e−r/a0, lies in D(Cγ), and satisfies Cγϕ100=−γ24ϕ100. Its radial density p(r)=γ32r2e−2r/a0=4r2a0−3e−2r/a0 is a probability density with mean 3a0/2 and unique mode a0; its spatial density is strictly decreasing in r and maximal at the origin. With t:=2ε/a0, the ball probability is exactly 1−e−t(1+t+t2/2), and the proof of clause (d) of the cited item gives ∣∫∣x∣<ε∣ϕ100∣2dx−t36∣≤t4/8. Also a0=ℏ2/(mκ)=aκ under γ=2mκ/ℏ2 (Ground radial probability and units proof 3.2 and clauses (a)-(e), The declared Coulomb and two-body hydrogen model: one-centre operator, relative problem, reduced mass and scope exclusions clause (b)).

[F4]

Polar disintegration. For ψ(x)=u(r)Ylmˉ(Ω)/r with u square integrable and Ylmˉ normalised in L2(S2,σ), and for every Borel B, one has ∫B∣ψ(x)∣2dx=∫0∞∣u(r)∣2(∫S21B(rΩ)∣Ylmˉ(Ω)∣2dσ(Ω))dr; this is the polar-coordinates formula for the Lebesgue integral with the surface measure σ and Tonelli's theorem, together with ∫S2∣Ylmˉ∣2dσ=1 (Polar coordinates decompose Lebesgue measure into r^{n-1} dr d sigma, Tonelli's theorem for nonnegative measurable functions on a sigma-finite product, The polar surface set function on the unit sphere, Sphere ONB). In particular ∫S2YlmˉYl′mˉ′‾ dσ=δll′δmˉmˉ′, and ∥ψnlmˉ∥2=∥unl∥2.

[F5]

Position law. In a unit vector ψ the model's Born position law is μψG(B)=∫B∣ψ∣2dx for every Borel B (Position and momentum outcome laws of the massive spin-s model clause (b), Assigned sharp observables and the outcome law of the framework).

Proof

technique · direct; insert the reduced-solution representation of the bound vectors into the spin-zero position law, disintegrate the resulting integral in polar coordinates, and transport the cited ground-state computation into the model's parametrisation

Given: The data of the statement and [F1]-[F5].

1.1givenF1F2F4F5algebra

[General radial law] Fix a label. By [F1], ψnlmˉ(x)=unl(r)Ylmˉ(Ω)/r and unl is a regular solution of [F2]; the unit preparation is [Ψnlmˉ] with Ψnlmˉ=ψnlmˉ/∥ψnlmˉ∥. By [F5] its position law is μΨnlmˉG(B)=∫B∣Ψnlmˉ∣2dx, and since the normalisation constant is a scalar, [F4] applied to Ψnlmˉ gives the displayed formula for every Borel B. For a radial set B={a<∣x∣<b} the indicator 1B(rΩ) does not depend on Ω and equals 1(a,b)(r), so the inner integral is ∫S2∣Ylmˉ∣2dσ=1 by [F4] and μΨnlmˉG(B)=∥unl∥2−2∫ab∣unl(r)∣2dr; the density pnl is nonnegative and integrates to one over (0,∞) by choosing a=0, b=∞. This proves (a).

2.1step 1.1F1F4F5algebra

[General bound eigenvectors] By [F1], every unit bound eigenvector χ lies at one En and has the stated finite expansion with ∑l,mˉ∣blmˉ∣2=1. By [F4], Ψnlmˉ(rΩ)=u^nl(r)Ylmˉ(Ω)/r. Inserting the finite sum into [F5] and applying polar coordinates gives the displayed law: the Jacobian r2 cancels 1/r2. For a radial event the angular integral of the squared sum has no cross terms, since the spherical harmonics are orthonormal by [F4]; thus its radial density is ∑l,mˉ∣blmˉ∣2∣u^nl∣2=∑l,mˉ∣blmˉ∣2pnl. This density integrates to one by step 1.1. General position events retain cross terms, so the separated product formula is asserted only for the labelled vectors. This completes the general bound-eigenvector part of (a).

2.2step 1.1F2F3F4algebra

[Ground state] Take n=1, l=mˉ=0. By [F2] with j=0 one has L0(1)=1 and the regular reduced solution is u10(r)=c10re−kr, where k=γ/2=1/aκ and c10≠0. With Y00=1/4π from [F4], the corresponding representative is ψ100(x)=c10e−r/aκ/4π. Polar integration gives ∥ψ100∥=∥u10∥2=∣c10∣aκ3/2/2, so the normalized representative is Ψ100(x)=ζ100(πaκ3)−1/2e−r/aκ with ζ100:=c10/∣c10∣ and ∣ζ100∣=1. It follows that p10(r)=∣u10(r)∣2/∥u10∥22=4r2aκ−3e−2r/aκ and ∣Ψ100∣2=∣ϕ100∣2 for the normalized ground representative ϕ100 of [F3]. Thus [F3] supplies the mean, unique mode, strict decrease of the spatial density and exact ball probability. Put t:=2ε/aκ; [F3] gives ∣μΨ100G({∣x∣<ε})−16(2εaκ)3∣≤t48=2(εaκ)4, which proves the dimensionless remainder in (b). Positivity for every ε>0 and convergence to zero as ε↓0 follow because the exact probability formula in [F3] is strictly positive for t>0 and tends to 0 as t↓0. This proves (b).

2.3step 1.1F1F2

[Polynomial-exponential form] For a general label, [F2] with j=n−l−1 and k=γ/(2n)=1/(naκ) gives unl(r)=cnlrl+1e−r/(naκ)Ln−l−1(2l+1)(2r/(naκ)) with cnl≠0; the normalisation ∫0∞∣unl∣2dr=∥ψnlmˉ∥2 is the case a=0, b=∞ of step 1.1. This is (c).

3.1step 1.1step 2.1step 2.2step 2.3∎

[Assembly and scope] Steps 1.1 and 2.1 give (a), step 2.2 gives (b) and step 2.3 gives (c); only the declared model, P1, P2, P4, P5 and the cited mathematics were used, so the reading is conditional as recorded in (d), no orbit, trajectory, measured radius or empirical identification is asserted, and each labelled radial density is positive except at finitely many roots of its nonzero polynomial factor in step 2.3. Its integral on every nonempty radial interval is therefore positive; hence every ball around the origin and every tail r>R (R>0) has positive probability. The same holds for the radial mixtures in step 2.1, since some coefficient has positive squared modulus.

Remarks

  • The radial density is not a radial observable. The quantity pnl is the disintegration of the position law on radial Borel sets, a reading of the declared position observable; the model does not assign the radius as an independent sharp observable, and no commutation or measurement claim about a radius operator is made.
  • Scales. The two length scales aκ and the energy scale ℏ2/(2maκ2) are model data fixed by ℏ,m,κ; the identification of aκ with a physical Bohr radius of a hydrogen atom is the tested identification of The declared Coulomb and two-body hydrogen model: one-centre operator, relative problem, reduced mass and scope exclusions clause (e) and carries its uncertainty.

Depends on

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