Alphabeta Math
LemmaStatement: AI-adaptedProof: AI-generatedPipeline-generated
How statement and proof provenance work

The first chip identifies the source of the statement or construction; the second identifies the source of its local proof or verification.

  • Literature-sourced: the exact statement appears in a cited source; only wording and notation differ.
  • AI-adapted: a semantically identical restatement of literature-sourced material, modulo indexing, notation, and boundary cases adopted by the library.
  • AI-generated: a genuinely novel statement formulated by AI, with no source for the claim itself.

These labels describe origin, not correctness: citations and verification chips remain separate evidence.

Finite-budget SCF response iterations return a status in bounded outer work

Statement

For admissible inputs of any of the three cited SCF iterations with finite budget N, there are at most N updates. The undamped and relaxed procedures use at most N+1 fixed-point residual tests; the certified DIIS procedure uses at most 2N+1, counting one current-point test and at most one candidate test at each nonterminal pass. Under returning spectrum/eigensolver, response, constrained least-squares, metric and comparison primitives, each procedure terminates with a stated residual, gap, eigensolver, response-evaluation, invariance-certificate or budget status. This is a work/status bound and does not assert contraction, convergence or tolerance attainment.

Facts & Assumptions

Given: Any of the three algorithms' admissible inputs and returning primitives.

[F1]

Finite-budget undamped self-consistent projector iteration checks the spectrum/gap, then its residual, then the budget, and updates only at indices below N.

[F2]

Finite-budget relaxed density-matrix mixing uses the same index and stopping order for its relaxed residual, with earlier gap/eigensolver returns allowed.

[F3]

Finite-budget certified SCF with safeguarded DIIS and a contractive fallback checks one current response residual at each entered index, attempts at most one candidate residual test before any update, and stops at budget index N.

Proof

technique · induction
1.1givenF1F2F3base

At the initial entered index 0, no update has occurred. Each baseline procedure permits at most one residual test after its spectrum and gap checks; the certified DIIS procedure permits one current residual test and, only if 0<N, at most one candidate residual test.

1.2IH

Before an entered index k≤N, its preceding entered indices are exactly 0,…,k−1, with at most k preceding updates, at most k residual tests for either baseline procedure, and at most 2k residual tests for the certified DIIS procedure.

2.1givenF1F2F3step 1.2algebra

A baseline pass permits at most one residual test; a certified DIIS pass permits at most two, for its current point and a candidate. A continuing pass requires k<N and makes at most one update before entering k+1. Thus the preceding counts increase by at most one update and, respectively, one or two residual tests, proving step 1.2 at the next index. Any earlier gap, eigensolver, response-evaluation, invariance, residual or budget return creates no further pass.

3.1givenF1F2F3step 1.1step 1.2step 2.1discharge-induction∎

The base and induction step show that entered indices form an initial segment of 0,…,N, with at most N+1 residual tests for either baseline procedure and at most 2N+1 for certified DIIS, since index N checks the current response and returns before a candidate attempt or update. All three make at most N updates. Every entered pass has finitely many returning primitives, so each procedure terminates with a stated status, including when N=0. These are only outer-work and status bounds.

Depends on

Used by

Nothing in the library uses this result yet.

Cited to discharge well-definedness by Finite-budget certified SCF with safeguarded DIIS and a contractive fallback, Finite-budget relaxed density-matrix mixing and Finite-budget undamped self-consistent projector iteration.

Dependency tree · two levels

11 results within two dependency steps of this one, each drawn at its shortest distance from it. An arrow runs from a result to what uses it, so the chart reads left to right and ends at this result, which carries a heavier outline. Every node is a link to that result. Click elsewhere on the chart to enlarge it.

Sources