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Trace-class bounded-observable response

Statement

Assume the Axiom of Choice. Let H≠{0} be a separable complex Hilbert space, let H=H∗ be a densely defined operator with domain D(H), and let ℏ>0. Put U0(t)=e−itH/ℏ. Let ρ be a density operator, meaning a positive trace-class operator with Tr⁡ρ=1 as in Trace-class normal density states, and assume ρU0(t)=U0(t)ρ for every t∈R. Let A,B∈B(H) be bounded self-adjoint operators, let T>0 be a finite time in s, let h:[0,T]→R be continuous, and let ϵ∈R be dimensionless. Interpret H in J, ℏ in J s, and h(t)B in J; if A,B carry units [A],[B], then RAB has units [A][B]/(J s).

Define Bs=U0(s)∗BU0(s), αt(A)=U0(t)∗AU0(t), and

RAB(u)=iℏTr⁡ ⁣(ρ[αu(A),B]),CT=2ℏ∫0T∣h(s)∣ ∥B∥ ds.

The trace-class interaction-picture solution of ρI′(t)=iϵh(t)ℏ[Bt,ρI(t)], ρI(0)=ρ, satisfies

Tr⁡(ρI(t)αt(A))=Tr⁡(ραt(A))+ϵ∫0th(s)RAB(t−s) ds+rϵ(t),

where ∣rϵ(t)∣≤∥A∥(∣ϵ∣CT)2e∣ϵ∣CT/2 for 0≤t≤T. Thus the bounded-observable first variation is exact, with an explicit finite-time remainder. No energy or entropy moment of ρ is assumed, and no trace of an unbounded product such as ρHA is used.

Facts & Assumptions

Given: Choice, the Hilbert space, self-adjoint H, ℏ>0, trace-class density ρ, bounded self-adjoint A,B, continuous real control h, and finite T.

[A1]

The Axiom of Choice: the full Axiom of Choice is assumed for the unbounded spectral theorem used to define U0(t).

[F1]

Trace-class normal density states: a density operator is positive, trace class, and has trace one; its state pairing with a bounded operator is ωρ(A)=Tr⁡(ρA).

[F2]

A self-adjoint operator generates a strongly continuous unitary group: under [A1], U0(t)=e−itH/ℏ is a strongly continuous unitary group, preserves D(H), and differentiates there; the exact scale change from eisH is s=−t/ℏ.

[F3]

Trace class is a two sided Banach operator ideal: trace-class operators are complete in trace norm, bounded left/right multiplication is trace-class, and ∥AXB∥1≤∥A∥∥X∥1∥B∥.

[F4]

Cyclicity of the trace: for trace-class X and bounded Y, Tr⁡(YX)=Tr⁡(XY).

[F5]

Trace is absolutely convergent and basis independent: the trace is linear and basis independent, and ∣Tr⁡X∣≤∥X∥1.

[F6]

Banach-space Volterra and Dyson series with a norm remainder: a strongly continuous bounded coefficient on a Banach space has a unique norm-convergent Volterra series solution with the stated quadratic remainder; its Hilbert-space clause gives a unitary solution operator for a strongly continuous skew-adjoint coefficient.

[F7]

Nuclear series characterizes trace norm: each trace-class operator has a nuclear singular-value representation with summable singular values. Its finite-rank partial sums XN satisfy ∥X−XN∥1≤∑j>Nsj(X)→0: the tail is a nuclear representation, and the supplier's infimum formula bounds its trace norm by that tail sum.

[F8]

Trace of a positive operator is the sum of its eigenvalues: for a positive trace-class operator ρ, Tr⁡ρ=∥ρ∥1.

Proof

technique · direct

Given: [A1], [F1]–[F6], and the stationarity condition ρU0(t)=U0(t)ρ.

1.1givenA1F2F3F7algebra

For a rank-one operator Ru,vx=⟨x,v⟩u, one has ∥Ru,v∥1=∥u∥∥v∥, and ∥Ru,v−Ru′,v′∥1≤∥u−u′∥∥v∥+∥u′∥∥v−v′∥. Strong continuity in [F2] therefore makes t↦U0(t)Ru,vU0(t)∗ trace-norm continuous. Finite sums have the same property. By [F7], finite-rank SVD truncations XN of any trace-class X satisfy ∥X−XN∥1→0. The ideal estimate in [F3] and ∥U0(t)∥=∥U0(t)∗∥=1 bound the conjugated tails uniformly by ∥X−XN∥1, so t↦U0(t)XU0(t)∗ is trace-norm continuous.

1.2givenF2F3F7algebra

For finite-rank XN=∑j=1mRuj,vj, BtXN=∑jRBtuj,vj and XNBt=∑jRuj,Btvj because Bt=Bt∗. Strong continuity of Bt makes both curves trace-norm continuous. For general trace-class X, take the finite-rank approximants from [F7] and use ∥Bt(X−XN)∥1,∥(X−XN)Bt∥1≤∥B∥∥X−XN∥1 uniformly in t. Thus X↦ih(t)ℏ[Bt,X] is strongly continuous on the trace-class Banach space and has norm bound 2∣h(t)∣∥B∥/ℏ.

1.3givenF1F3F6F7F8algebra

Apply [F6] on the trace-class Banach space with Kt(X)=ih(t)ℏ[Bt,X] and x0=ρ. By [F1] and [F8], ρ is positive, has trace one, and satisfies ∥ρ∥1=1; its Volterra solution has the claimed trace-norm linear approximation and remainder bound with CT=2ℏ∫0T∣h(s)∣∥B∥ ds. The Hilbert clause of [F6], applied to Kt=ih(t)Bt/ℏ on H, gives a unitary solution operator W(t)=Wϵ(t) satisfying W′(t)u=ϵih(t)BtW(t)u/ℏ for every u∈H. For a rank-one Ru,v, W(t)Ru,vW(t)∗=RW(t)u,W(t)v is trace-norm differentiable and its derivative is ϵKt(W(t)Ru,vW(t)∗), by the vector equation and skew-adjointness. Finite sums give the same integral equation. Approximate ρ by finite-rank ρN in trace norm using [F7]. Unitary invariance of trace norm follows from the ideal estimate [F3] applied to W(t) and W(t)∗, both of norm one; hence W(t)ρNW(t)∗→W(t)ρW(t)∗ uniformly, while the right-hand integral errors are at most ∣ϵ∣CT∥ρ−ρN∥1. Thus W(t)ρW(t)∗ solves the trace-class Volterra equation, and uniqueness in [F6] identifies it with ρI(t).

2.1givenF2F4step 1.3algebra

The linear term in the expectation is iϵℏ∫0th(s)Tr⁡([Bs,ρ]αt(A)) ds. By [F4], the trace integrand equals Tr⁡(ρ[αt(A),Bs]). The group law and stationarity give [αt(A),Bs]=αs([αt−s(A),B]) and Tr⁡(ραs(C))=Tr⁡(ρC) for bounded C. Hence the integrand is Tr⁡(ρ[αt−s(A),B]), producing the stated convolution and response kernel.

3.1givenF3F4F5step 1.3step 2.1algebra∎

The trace-norm remainder in step 1.3 changes the expectation by at most ∥A∥∥ρI(t)−ρ−ϵ∫0tKs(ρ) ds∥1 by [F3, F5]. This gives the stated bound. Since A,B are self-adjoint and ρ is positive, the commutator trace is purely imaginary by cyclicity; hence RAB(u) is real. No moment of H occurs in any trace.

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