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Exact quantum oscillator and spin ensembles

Physical scope

Exact canonical calculations for the one-dimensional harmonic oscillator with its proved Hermite spectral realization and for a declared independent two-level spin Hamiltonian. The low- and high-temperature limits retain the model's zero-point and ground-degeneracy qualifications. No generic third-law claim, species magnetic moment, material prediction, or measurement is asserted.

Statement

Assume the Axiom of Countable Choice ACω (The Axiom of Countable Choice (ACω)) and the preparation postulate Quantum statistics and model equilibrium preparation. Let ω>0 in s−1, m>0 in kg, ℏ>0 in J s, kB>0 in J K−1, and T>0 in K; set ϵ=ℏω in joules and β=(kBT)−1 in J−1. Take the self-adjoint one-dimensional realization Hosc of −ℏ2(2m)−1d2/dx2+mω2x2/2 on L2(R,dx) with Hermite eigenvectors ϕn, eigenvalues ϵ(n+1/2), and domain D(Hosc)={∑ncnϕn:∑nϵ2(n+1/2)2∣cn∣2<∞}, as proved in Oscillator scaling and exact realization. Declare this oscillator to be a fixed-number QSM model with particle number N=1 and mode set I=N0 in its usual order. The unitary Uosc:ℓ2(N0)→L2(R,dx), Uosc(c)=∑n≥0cnϕn, identifies its one-particle sector with this realization; the symmetric and antisymmetric one-particle sectors coincide. Adopt the canonical preparation ρosc=Z−1e−βHosc when its trace Z is positive and finite. Define U=tr⁡(ρoscHosc) when its absolute energy moment is finite, CV=∂U/∂T at fixed m,ω,ℏ, and S=−kBtr⁡(ρosclog⁡ρosc) when its eigenvalue entropy sum is finite. Then Z=e−βϵ/2(1−e−βϵ)−1,U=ϵ(12+nˉ),nˉ=(eβϵ−1)−1,CV=kB(βϵ)2eβϵ(eβϵ−1)2. Its entropy is S=kB[(1+nˉ)log⁡(1+nˉ)−nˉlog⁡nˉ]; as T↓0, U→ϵ/2, S,CV→0. As βϵ↓0, U=β−1+O(βϵ2).

For a separate two-level spin model, let Hs=C2 with its standard orthonormal basis, define σz=(100−1) on its full domain D(σz)=C2, and set Hs=−hσz for h∈R in joules. Declare this separate QSM model to be its fixed N=1 sector with two ordered modes Is={1,2}, identified with ℓ2(Is)=C2 by the coordinate basis, and adopt ρs=Zs−1e−βHs when 0<Zs=tr⁡(e−βHs)<∞. Define Us,CV,s,Ss by the same mean, fixed-h temperature derivative, and entropy formulas. Then Zs=2cosh⁡(βh), Us=−htanh⁡(βh), CV,s=kB(βh)2sech⁡2(βh), and Ss→0 as T↓0 when h≠0, whereas Ss=kBlog⁡2 when h=0. These results make no generic third-law claim.

Facts & Assumptions

Given: ACω, β>0 in J−1, ϵ=ℏω>0 in J, and the adopted state assignment.

[A1]

Quantum statistics and model equilibrium preparation: on each explicitly declared fixed-number QSM sector above, adopt canonical Gibbs preparation when the corresponding trace is positive and finite. This is a physical assumption, not a consequence of the energy spectrum.

[F1]

Oscillator scaling and exact realization, Statement: the oscillator has the complete Hermite eigenbasis, eigenvalues ϵ(n+1/2), and exact squared-weight self-adjoint domain.

[F2]

Explicit diagonal Fock domains and occupation trace, Statement: a positive summable diagonal Boltzmann trace normalizes the occupation weights; its moment identities apply when the relevant sums converge.

Proof

1.1givenF1A1algebra

The oscillator eigenvalues from [F1] give levels ϵ(n+1/2) for the declared Hamiltonian. Since x=e−βϵ∈(0,1), summing the geometric series yields Z=∑n≥0e−βϵ(n+1/2)=e−βϵ/2/(1−x), finite and positive; the domain and spectral realization are those of [F1], so this sum is the trace of the declared Gibbs multiplier.

2.1step 1.1F2algebra

The normalized probabilities are (1−x)xn. Differentiating the convergent geometric series, or multiplying its absolutely convergent power series by 1−x, gives En=x/(1−x) and Var⁡n=x/(1−x)2. Therefore U=ϵ(1/2+nˉ) and differentiating with respect to T using dβ/dT=−1/(kBT2) gives the displayed CV.

3.1step 2.1algebra

Since −log⁡pn=−log⁡(1−x)−nlog⁡x, S=−kB∑npnlog⁡pn=kB[−log⁡(1−x)−nˉlog⁡x]. Substituting x=nˉ/(1+nˉ) gives the stated entropy. As βϵ→∞, x→0, so U→ϵ/2, CV→0, and both −log⁡(1−x) and nˉ∣log⁡x∣ tend to zero; hence S→0.

3.2step 2.1algebra

Set y=βϵ. Taylor's formula for ey at zero gives ey−1=y+y2/2+O(y3), so nˉ=1/y−1/2+O(y) as y↓0. Multiplying by ϵ in U=ϵ(1/2+nˉ) cancels the constant halves and yields U=β−1+O(βϵ2).

4.1givenA1algebra∎

The spin eigenvalues are −h and h, so its normalized Gibbs probabilities are eβh/(2cosh⁡βh) and e−βh/(2cosh⁡βh). Their sum gives Zs; their energy mean is −htanh⁡(βh) and variance h2sech⁡2(βh). Multiplying the variance by 1/(kBT2)=kBβ2 gives the displayed heat capacity. If h≠0, one probability tends one and the other zero, so the two-state entropy tends zero; if h=0, both probabilities equal 1/2 at all temperatures and Ss=kBlog⁡2.

Depends on

Dependency tree · 2 levels

Sources