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Fermion and dilute grand-canonical formulas

Statement

Assume the Axiom of Countable Choice (The Axiom of Countable Choice (ACω)). Let β>0 and let (εj)j≥1⊆(0,∞) and μ∈R be real data; write qj:=e−β(εj−μ).

(a) Single fermionic orbital. On h:=C2 with orthonormal basis (u0,u1) define the bounded self-adjoint operator N− by N−u0=0, N−u1=u1 (A bounded linear operator between normed spaces). Then the diagonal operator F:=∑k=01e−β(ε1−μ)k Tuk,uk is positive, self-adjoint, finite rank, and tr⁡F=1+e−β(ε1−μ),∑k=01k e−β(ε1−μ)ktr⁡F=1eβ(ε1−μ)+1 (Trace class operator, Trace of a trace class operator, Trace is absolutely convergent and basis independent).

(b) Countable grand-canonical factor products. Define N:={N⊆{1,2,… }:N finite} and set ZB:=sup⁡N∈N ∏j∈N11−qj∈(0,∞],ZF:=sup⁡N∈N ∏j∈N(1+qj)∈[1,∞], with the convention ZB:=+∞ if some j has εj−μ≤0. Then: ZB<∞  ⟺  ∑je−βεj<∞  and  μ<inf⁡jεj,ZF<∞  ⟺  ∑je−βεj<∞, and in these finite cases ZB=∏j≥1(1−qj)−1 and ZF=∏j≥1(1+qj).

(c) Mode occupancies and dilute remainders. For a single mode with 0<q<1 (boson) and q>0 (fermion), ∑n≥0n qn∑n≥0qn=q1−q=q+q21−q,∑n=01n qn∑n=01qn=q1+q=q−q21+q; consequently the deviations from q are bounded by q2/(1−q) and q2/(1+q) respectively, and both are at most 2q2 when q≤1/2.

All statements are mathematical statements about diagonal weights and products; no identification of β,μ,εj with physical temperatures, chemical potentials or energies, and no thermal or thermodynamic conclusion, is asserted.

Facts & Assumptions

Given: the real data β>0, (εj)j≥1⊆(0,∞), μ∈R, the numbers qj=e−β(εj−μ), the two-dimensional Hilbert space h=C2 with orthonormal basis (u0,u1), the finite-rank operators Tuk,uk, and 0<q<1.

[F1]

For 0≤q<1, the geometric series gives ∑n≥0qn=(1−q)−1 (For ∣r∣<1, ∑k≥0rk=1/(1−r), and for ∣r∣≥1 the series diverges). Tonelli for nonnegative double series (Tonelli's theorem for double series of nonnegative extended real numbers) gives ∑n≥1nqn=∑m≥1∑n≥mqn=(1−q)−1∑m≥1qm=q/(1−q)2. This scalar derivation uses no Axiom-of-Choice operator supplier.

[F2]

A finite-rank operator is trace class; the trace is independent of the chosen Hilbert basis and equals the sum of the diagonal entries in any supplied Hilbert basis (Trace class operator, Trace of a trace class operator, Trace is absolutely convergent and basis independent).

[F3]

For x≥1, log⁡x=∫1xdt/t and 1−1/x≤log⁡x≤x−1; hence for 0≤q≤1/2, log⁡(1+q)≤q and log⁡(1+q)≥q−q2 (The natural logarithm has derivative 1/x and equals the integral from 1 to x of 1/t, If f≤g on [a,b] and both are integrable then ∫abf≤∫abg; and m(b−a)≤∫abf≤M(b−a), The natural logarithm as the inverse of the exponential function).

[F4]

The scalar bosonic logarithmic comparison is q≤−log⁡(1−q)≤q/(1−q) for 0<q<1: apply the integral bounds 1−1/x≤log⁡x≤x−1 of [F3] at x=(1−q)−1. This uses only The natural logarithm has derivative 1/x and equals the integral from 1 to x of 1/t, If f≤g on [a,b] and both are integrable then ∫abf≤∫abg; and m(b−a)≤∫abf≤M(b−a) and The natural logarithm as the inverse of the exponential function, not a Hilbert-space or spectral product theorem.

[F5]

The natural logarithm has the product, quotient and reciprocal laws and is continuous and strictly increasing on (0,∞) (Order, continuity, range, and the product, quotient, and reciprocal laws for the natural logarithm).

[F6]

The complex exponential satisfies exp⁡(z+w)=exp⁡(z)exp⁡(w) for all complex z,w and extends the real exponential (exp⁡(z+w)=exp⁡z exp⁡w, and the complex exponential extends the real exponential).

Proof

1.1F1F2algebra

[Single orbital] The vector uk is an eigenvector of ∑m=01mTum,um with eigenvalue k, so e−β(ε1−μ)N−=∑k=01e−β(ε1−μ)kTuk,uk=F on a complete orthonormal family, hence everywhere; F is a positive diagonal finite-rank operator with eigenvalues 1 and e−β(ε1−μ)>0. By [F2] its trace is 1+e−β(ε1−μ) and the weighted average of the eigenvalues 0,1 is 0⋅1+1⋅e−β(ε1−μ)1+e−β(ε1−μ)=1eβ(ε1−μ)+1. This proves (a).

1.2F1algebra

[Dilute remainders] For 0<q<1, the bosonic signed deviation is q1−q−q=q21−q>0. For every q>0, the fermionic signed deviation is q1+q−q=−q21+q<0. Their absolute values are q2/(1−q) and q2/(1+q) on these respective domains; when 0<q≤1/2, each is bounded by 2q2 because 1−q≥1/2 and 1+q≥1. The bosonic geometric sums are [F1], and the fermionic finite sums are 1+q and q. This proves (c).

1.3F3F5F6F7algebra

[Fermionic products] If infinitely many j have qj>1/2, the product over any k of these indices is at least (3/2)k, so ZF=+∞ and ∑jqj=+∞. Otherwise their finitely many factors are finite positive constants, and [F3] gives qj/2≤qj−qj2≤log⁡(1+qj)≤qj on the remaining tail. Thus the nonnegative logarithmic partial sums are bounded exactly when ∑jqj<∞. Since ∏j≤n(1+qj)=exp⁡(∑j≤nlog⁡(1+qj)), the increasing partial products have a finite limit exactly in that case. Every finite subset is contained in an initial segment and every factor is at least one, so their supremum equals that limit. Finally ∑jqj=eβμ∑je−βεj, giving precisely the fermionic equivalence in (b).

1.4F3F4F5F6F7algebra

[Bosonic products] If some εj≤μ, then qj≥1 and ZB=+∞ by the stated convention; also μ<inf⁡jεj fails. Suppose all qj<1. By [F4], qj≤−log⁡(1−qj) for every index. If infinitely many qj>1/2, both corresponding sums diverge; otherwise discard only that finite set and use qj≤−log⁡(1−qj)≤2qj on its complement. Consequently ∑j−log⁡(1−qj)<∞ exactly when ∑jqj<∞, and the reciprocal partial products, whose logarithms are these partial sums, have a finite limit exactly then. Their limit equals the finite-subset supremum because the factors are at least one. If ∑jqj<∞, then qj→0, so εj→+∞ since qj=e−β(εj−μ) and β>0. In particular, all but finitely many εj exceed ε1; hence the infimum is attained in a nonempty finite initial set. Since every εj>μ, this gives μ<inf⁡jεj. Conversely, μ<inf⁡jεj and ∑je−βεj<∞ imply all qj<1 and ∑jqj=eβμ∑je−βεj<∞, so the scalar criterion just proved gives finite ZB. This proves the full bosonic equivalence without assuming attainment in the hypotheses and without invoking an Axiom-of-Choice spectral theorem.

2.1step 1.1step 1.2step 1.3step 1.4algebra∎

[Conclusion] Steps 1.1, 1.2, 1.3 and 1.4 establish (a), (c), the fermionic half of (b) and the bosonic half of (b) respectively; in the finite cases the displayed products are the limits, and the mode occupancies in (c) are the normalized geometric sums of [F1]. The closing paragraph of the statement records that no physical identification of the parameters or of the products with thermodynamic quantities is asserted.

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