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Purity, spectral weights and the criterion for a pure state

Statement

Assume the Axiom of Countable Choice. Let H≠{0} be a complex Hilbert space and let ρ∈D(H) be a density operator (The state space: density operators, pure and mixed states, and purity, Density operators and scalar spectral probability). Let (λn)n∈J,J a finite initial segment of N or all of N, be the positive eigenvalues of ρ listed with multiplicity, so that ρ=∑n∈JλnTun,un for an orthonormal family (un)n∈J of eigenvectors, ρun=λnun (Eigenvalues, eigenvectors, eigenspaces Eλ(T)=ker⁡(T−λI), and the spectrum σF(T) of an endomorphism). Then:

(a) λn>0 for every n∈J, ∑n∈Jλn=1, and λn≤1 for every n∈J.

(b) ρ2 is a self-adjoint positive trace-class operator, and its positive eigenvalues, counted with multiplicity, are exactly the numbers λn2 with n∈J; consequently tr⁡(ρ2)=∑n∈Jλn2∈(0,1].

(c) The following four statements are equivalent: (i) tr⁡(ρ2)=1; (ii) J={n0} for a single index n0 and λn0=1; (iii) ρ is a pure state; (iv) ρ2=ρ.

(d) If ρ is not pure, then tr⁡(ρ2)<1 and J contains at least two indices, so that ρ has at least two positive eigenvalues counted with multiplicity.

Facts & Assumptions

Given: The Hilbert space H≠{0}; a density operator ρ; its positive eigenvalues λn with orthonormal eigenvectors un, n∈J.

[F1]

Density operators and their spectral expansion (Density operators and scalar spectral probability clause (a), The state space: density operators, pure and mixed states, and purity): ρ is self-adjoint, positive and trace class with tr⁡ρ=1; and ρ admits the expansion ρ=∑n∈JλnTun,un with weights λn≥0, ∑nλn=1, and (un) an orthonormal family of eigenvectors of ρ, the weights being its positive eigenvalues counted with multiplicity, and conversely every such expansion determines ρ.

[F2]

Spectral theorem for compact self-adjoint operators (Spectral theorem for compact self adjoint operators): the nonzero eigenvalues of the compact self-adjoint operator ρ form a finite or countably infinite set of real numbers with finite-dimensional eigenspaces. Since ρ is positive, each nonzero eigenvalue is positive. Let Σ denote the set of distinct nonzero eigenvalues, let Eλ:=ker⁡(ρ−λI), and let Pλ be the orthogonal projection onto Eλ for λ∈Σ. The closed span M of the union of these eigenspaces equals (ker⁡ρ)⊥=ran⁡ρ‾; H=M⊕ker⁡ρ; and ρx=∑λ∈ΣλPλx in norm, where this sum is indexed by distinct eigenvalues, not by eigenvalues repeated with multiplicity.

[F3]

Trace of a positive trace-class operator (Trace of a positive operator is the sum of its eigenvalues): for a self-adjoint positive trace-class operator its trace is the sum of its positive eigenvalues counted with multiplicity, and this sum equals its trace norm.

[F4]

Trace-class ideal and norm bound (Trace class is a two sided Banach operator ideal): ρ2=ρ ρ is trace class because ρ is bounded and trace class, and ∥T∥≤∥T∥1 for trace-class T.

[F5]

Adjoints and positivity of ρ2 (Hilbert-adjoint identities, Self-adjoint, positive, unitary and normal operators, Cauchy–Schwarz: ∣⟨x,y⟩∣≤∥x∥ ∥y∥, with equality exactly for dependent pairs): ρ2 is self-adjoint with (ρ2)∗=(ρ∗)2=ρ2 and positive because ⟨ρ2x,x⟩=⟨ρx,ρx⟩=∥ρx∥2≥0; and ∣⟨y,x⟩∣≤∥y∥ ∥x∥.

[F6]

Orthonormal expansions (Fourier expansion in a Hilbert space, Orthonormal families, complete orthonormal systems and Hilbert bases): for a complete orthonormal family (ei) of a closed subspace and x in that subspace, x=∑i⟨x,ei⟩ei in norm, and the coefficients are unique: if ∑iaiei=x in the finite-subset net, then ai=⟨x,ei⟩ for all i.

[F7]

Pure states and rank-one operators (The state space: density operators, pure and mixed states, and purity, Rays, unit vectors and rank-one Hilbert projections): ρ is pure exactly when ρ=Tu,u for some u∈S(H); and for such u one has Tu,uu=∥u∥2u=u and Tu,u2=Tu,u.

Proof

1.1givenF1F3algebra

[(a) the weights are positive and sum to one] By [F1] the λn are exactly the positive eigenvalues with multiplicity, so λn>0 for n∈J; the identity ∑n∈Jλn=tr⁡ρ=1 is [F1] together with [F3] applied to the positive trace-class operator ρ; since all terms are nonnegative and their sum is 1, each single term satisfies λn≤1.

2.1givenstep 1.1F1F2F3F4F5F6algebra

[(b) the eigenvalues of ρ2] By [F4] and [F5] the operator ρ2 is self-adjoint, positive and trace class. For each distinct positive eigenvalue λ of ρ, [F1] lists exactly its finite multiplicity of orthonormal eigenvectors among (un); since an orthonormal family is linearly independent and Eλ has that finite dimension by [F2], those vectors form an orthonormal basis of Eλ. Their union is therefore a complete orthonormal family of M by [F2]. If ρ2x=μx with μ>0, then x=μ−1ρ2x∈ran⁡ρ⊆M by [F2], so [F6] gives the norm-convergent expansion x=∑n∈Janun, where an=⟨x,un⟩. The expansion in [F1] gives ρun=λnun; applying the bounded operator ρ twice to the finite partial sums of the expansion of x yields ρ2x=∑n∈Jλn2anun in norm. By uniqueness of coefficients in [F6], (λn2−μ)an=0 for every n. Thus the μ-eigenspace of ρ2 is exactly the closed span of those un with λn2=μ: the reverse inclusion holds because each such un is an eigenvector of ρ2, and the forward inclusion follows from the coefficient identity and completeness. Since λn>0, the positive eigenvalues of ρ2 are exactly the numbers λn2 with multiplicity. By [F3], tr⁡(ρ2)=∑n∈Jλn2. The sum is positive because some λn>0 by ∑λn=1, and it is at most 1 because λn2≤λn by step 1.1 and ∑λn=1.

3.1givenstep 1.1step 2.1F1F3F7algebra

[(c) equivalences] Statement (i) holds, that is ∑nλn2=1=∑nλn, if and only if ∑nλn(1−λn)=0; since 0≤λn≤1 by step 1.1, each term is nonnegative, so this happens exactly when λn∈{0,1} for every n, and because λn>0 on the index set J and ∑n∈Jλn=1, exactly when J consists of a single index n0 with λn0=1; this is (ii). If (ii) holds, then the expansion of [F1] reads ρ=Tun0,un0 with un0 a unit vector of the orthonormal family, so ρ is pure, which is (iii), by [F7]. If ρ is pure, say ρ=Tu,u with ∥u∥=1, then ρ2=ρ by the product rule Tu,uTu,u=TTu,uu,u=Tu,u recalled in [F7], giving (iv). Finally, if ρ2=ρ and ρx=λx, then λ2x=ρ2x=ρx=λx, so λ∈{0,1} for the positive eigenvalues n∈J; since their sum is 1 there is exactly one index n0 with λn0=1, which is (ii), and then tr⁡(ρ2)=tr⁡ρ=1 gives (i). The implications (i)⇒(ii)⇒(iii)⇒(iv)⇒(ii) show that all four statements are equivalent.

4.1givenstep 1.1step 2.1step 3.1algebra∎

[(d) non-pure states have at least two positive eigenvalues] If ρ is not pure, then tr⁡(ρ2)≠1 by step 3.1, and tr⁡(ρ2)≤1 by step 2.1, so tr⁡(ρ2)<1. If J had exactly one index n0, then ∑n∈Jλn=λn0=1 by step 1.1, and condition (ii) of step 3.1 would hold, making ρ pure by that step, a contradiction; hence J has at least two indices. This proves (a)-(d).

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