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An exact local DMRG ground solve does not increase Rayleigh energy

Statement

Let ψ0=Ex0 be a normalized finite MPS in mixed canonical gauge about a one-site or two-site center, with ∥x0∥2=1. Let Heff=E∗HE be its effective Hermitian matrix, and replace the center by the deterministic unit ground vector x∗ of Heff, giving ψ∗=Ex∗. Then ψ∗ is normalized and EH(ψ∗)≤EH(ψ0). This claim is before any bond truncation.

Facts & Assumptions

Given: The finite-state and Hermitian-Hamiltonian conventions, an isometric one-site or two-site center embedding E, and the current unit center vector x0.

[F1]

Canonical MPS environments are isometric and the effective Hamiltonian is Hermitian: E∗E=I, Heff=E∗HE is Hermitian, and ⟨Ex,HEx⟩F=x∗Heffx.

[F2]

Finite Hermitian ground vectors and a deterministic tie rule: the selected unit vector x∗ minimizes the Rayleigh quotient of the finite Hermitian matrix Heff.

[F3]

Finite matrix-product states and Hermitian Hamiltonians: a normalized finite state has Frobenius norm one and EH(ψ)=⟨ψ,Hψ⟩F.

Proof

1.1givenF1F3algebra

Since E∗E=I by [F1], the current center state ψ0=Ex0 has norm ∥x0∥2=1, and the updated state ψ∗=Ex∗ has norm ∥x∗∥2=1. Thus both are admissible normalized states under [F3].

2.1F1F2F3step 1.1algebra∎

By [F2], x∗∗Heffx∗≤x0∗Heffx0. Use the pullback identity in [F1] on both sides and then [F3] to obtain EH(ψ∗)≤EH(ψ0).

Depends on

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Sources