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Oscillator trace Gibbs and divergent normalization

Physical scope

Exact canonical formulas for a one-mode diagonal oscillator model and a contrasting infinite-degeneracy model; no measured values or universal normalization claim.

Example

On ℓ2(N0), take (en)n≥0 to be the standard orthonormal basis and define the oscillator Hamiltonian Hen=ℏω(n+12)en,D(H)={(cn):∑n≥0(n+12)2∣cn∣2<∞}, with ω>0, ℏ>0. Its eigenvalues have units J. For β>0 in J−1, put x=βℏω and r=e−x. The canonical trace and state are finite and Zβ=e−x/21−e−x,Uβ=ℏω(12+1ex−1),S(ρβ)=kB[−log⁡(1−e−x)+xex−1]. By contrast, on an infinite-dimensional ℓ2 space with H=0, e−βH=I is not trace class, so there is no normalized trace Gibbs density. The preparation in the first model is adopted by Canonical quantum thermal preparation; no experiment is reported.

Facts & Assumptions

Given: The specified diagonal operator, ω,ℏ,β>0, kB>0 in J/K, the canonical preparation rule, and the definitions of trace class and normal density.

[A1]

The Axiom of Choice: the general trace-Gibbs variational branch retains full Choice; the explicit diagonal construction itself uses the given countable basis.

[F1]

Trace class operator: a positive diagonal operator is trace class exactly when its nonnegative eigenvalue series is summable.

[F2]

Trace-class normal density states: a positive trace-class operator of trace one is a normal density state.

[F3]

Quantum spectral entropy and relative-entropy domains: the von Neumann entropy is the spectral sum −kB∑npnlog⁡pn, with 0log⁡0=0.

[F4]

Canonical quantum thermal preparation: an actually normalizable canonical model adopts ρβ=e−βH/Zβ.

[F5]

Self-adjoint trace-Gibbs normalization and form-energy optimization: under the self-adjoint, lower-bound, trace-class/open-β-interval and finite-energy hypotheses, the Gibbs density has the stated energy-entropy identity and variational meaning.

Proof

1.1givenalgebra

Let λn=ℏω(n+12). Finite-support vectors lie in D(H), so the domain is dense. Since each λn is real, the diagonal operator is symmetric. If y∈D(H∗), there is z∈ℓ2 such that ⟨Hc,y⟩=⟨c,z⟩ for every c∈D(H). Testing c=en gives zn=λnyn, so (λnyn)∈ℓ2, which is exactly y∈D(H). Conversely, if this sequence is square summable, Cauchy–Schwarz gives ⟨Hc,y⟩=⟨c,(λnyn)⟩ for every c∈D(H). Thus D(H∗)=D(H) and H∗=H.

1.2givenF1F2F4algebra

The diagonal exponential has eigenvalues e−x(n+1/2). The finite geometric sum identity and rn→0 give ∑n≥0rn=(1−r)−1, so Zβ=e−x/2/(1−r)<∞. Set E∗:=ℏω>0 in J. For any compact inverse-energy interval [b,B]⊂(0,∞), the dimensionless terms [1+(λn/E∗)2]e−βλn are bounded by [1+(n+12)2]e−bE∗(n+1/2). The ratio of consecutive terms of this last series tends to e−bE∗<1, so it is summable. Since y≤1+y2 for y≥0, this gives finite trace and first and second energy moments after multiplying the corresponding bounds by E∗ or E∗2. Hence [F1] and [F2] make ρβ a normal density, and [F4] identifies it with the adopted canonical preparation.

2.1givenA1step 1.2F3F5algebra

The normalized weights are pn=(1−r)rn. Absolute convergence permits subtracting the two convergent series to get (1−r)∑n≥0nrn=∑n≥1rn=r/(1−r); therefore ∑npn=r/(1−r). This gives Uβ=∑npnλn=ℏω(12+r/(1−r)). Also log⁡pn=log⁡(1−r)+nlog⁡r, so summing −kBpnlog⁡pn using [F3] yields S=kB[−log⁡(1−r)−(log⁡r)r/(1−r)]=kB[−log⁡(1−r)+xr/(1−r)]. Replacing r/(1−r) by 1/(ex−1) gives the displayed formulas. The direct sums verify the moment hypotheses of [F5], whose energy-entropy identity agrees with this calculation.

3.1givenF1algebra∎

For H=0 on an infinite-dimensional ℓ2, every basis vector is an eigenvector of e−βH=I with eigenvalue one. Their eigenvalue sum diverges, so [F1] says I is not trace class. Its trace cannot be normalized to a finite partition function, establishing the contrasting failure without assuming a lower-bound-only Hamiltonian is normalizable.

Depends on

Dependency tree · 2 levels

Sources