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TT discarded weights bound the post-sweep DMRG energy increase

Statement

Let ψ0 be a normalized finite MPS/TT state with a supplied concrete open-boundary TT core list or periodic trace presentation contracting to ψ0, and let H be a finite Hermitian Hamiltonian on the same coefficient space. Run Finite alternating tensor optimization with effective eigenproblems for one full forward/backward sweep of a fixed width w∈{1,2}, with M=1 and no rank caps, from that presentation using exact local solves and exact SVD splits; call its normalized unrounded output ψ∗. Apply exact TT rounding with rank caps c1,…,cd−1∈N0, obtaining ψ~ and discarded tails δ1,…,δd−1. Put τ=(∑k=1d−1δk2)1/2. If τ<1, define ϕ=ψ~/∥ψ~∥F. Then EH(ϕ)≤EH(ψ0)+4∥H∥opτ. In particular, EH(ϕ)−EH(ψ∗)≤4∥H∥opτ. No normalized-output claim is made when τ≥1.

Facts & Assumptions

Given: A supplied open-boundary TT core list or periodic trace presentation of a normalized input state, a finite Hermitian H on the same coefficient space, the exact one-sweep no-rank-cap execution and subsequent exact TT rounding described above, and total discarded-tail bound τ<1.

[F1]

Finite alternating tensor optimization with effective eigenproblems: one sweep consists of finitely many exact local ground solves, exact SVD splits, and optional TT rounding only after the completed sweep.

[F2]

An exact local DMRG ground solve does not increase Rayleigh energy: each exact local solve before truncation weakly decreases the global Rayleigh energy and preserves normalization.

[F3]

Tensor-train rounding: exact TT rounding with rank caps records the omitted singular-value tails δk.

[F4]

Exact TT ranks and root-sum-square truncation error: exact TT rounding with tails δk satisfies ∥ψ∗−ψ~∥F2≤∑kδk2.

[F5]

Rayleigh energy perturbation for normalized finite states: for unit states ψ,ϕ, ∣EH(ψ)−EH(ϕ)∣≤2∥H∥op∥ψ−ϕ∥F.

[F6]

The inner-product norm is definite, homogeneous, and satisfies the triangle inequality: the Frobenius norm is homogeneous and satisfies the triangle inequality.

[F7]

The reverse triangle inequality in a normed space: for vectors x,y in a normed space, ∣∥x∥−∥y∥∣≤∥x−y∥.

Proof

1.1givenF1F2induction

There are finitely many local updates in the sweep. Each exact local solve preserves normalization and weakly decreases energy by [F2]; each intervening exact SVD split preserves the represented tensor and therefore its norm and energy by [F1]. Induction over this finite sequence shows that every intermediate state stays normalized and its energy does not exceed the preceding one. Hence EH(ψ∗)≤EH(ψ0).

1.2givenF3F4F6algebra

The tails δk are those recorded by [F3]. By [F4], e:=∥ψ∗−ψ~∥F≤τ. The triangle inequality [F6] gives 1=∥ψ∗∥F≤e+∥ψ~∥F, so ∥ψ~∥F≥1−e≥1−τ>0 and ϕ is defined.

2.1givenF6F7step 1.2algebra

By [F7], ∣1−∥ψ~∥F∣≤e. Also, homogeneity [F6] and ϕ=ψ~/∥ψ~∥F give ∥ϕ−ψ~∥F=∣1−∥ψ~∥F∣. Therefore ∥ϕ−ψ∗∥F≤∥ϕ−ψ~∥F+∥ψ~−ψ∗∥F≤2e≤2τ.

3.1givenF5step 1.1step 2.1algebra∎

Apply [F5] to the unit states ϕ and ψ∗ to get EH(ϕ)≤EH(ψ∗)+4∥H∥opτ. Combine this with step 1.1 to obtain the claimed bound relative to ψ0. The same inequality gives the asserted upper bound on any post-rounding increase.

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