{
  "abstract": "We formulate a finite-temperature residual test in IDMate that bounds window-resolved electronic errors without a spectral-gap assumption. For a fixed Hamiltonian and exact electron number, strong convexity of the matrix Fermi entropy bounds the density-matrix distance and free-energy error within a selected window. The bound remains finite at spectral crossings and extends to weighted k points with a shared chemical potential. We also derive a distance correction for particle-number mismatch. Across $3{,}586$ stress trials in $70$ seeded perturbation ladders, $1{,}942$ proposals satisfy the screen with no observed violation of the $0.05$ window-distance criterion plus its numerical allowance. This criterion differs from the uncorrected exact-trace bound, which six of ten historical in-loop candidates exceed at the numerical-error scale. An accept-or-recover loop replaces ten reference-map evaluations while meeting terminal comparison criteria in three configurations that include oracle-subspace controls. Additional candidates built only from preceding-iteration orbitals yield two acceptances and one abstention. The silicon candidate has a window distance of $1.891\\times10^{-13}$ but a normalized real-space density error of $3.754\\%$. Analytic examples separate errors from complement occupations and interblock coupling. Window-level accuracy therefore does not imply full-state accuracy; the screen tests compressed proposal quality, independently of nonlinear SCF convergence or net acceleration.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.02979",
  "author_total": 8,
  "authors": [
    {
      "name": "Peng Kang"
    },
    {
      "name": "Da Wan"
    },
    {
      "name": "Shulin Bai"
    },
    {
      "name": "Zhen Li"
    },
    {
      "name": "Yu Liu"
    },
    {
      "name": "Lei Zheng"
    },
    {
      "name": "Li-Dong Zhao"
    },
    {
      "name": "Huibin Xu"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3qka83czv9ccz.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.02979",
  "fulltext_url": null,
  "id": "3qka83czv9ccz",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.02979",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7208789373",
  "pdf_url": "https://arxiv.org/pdf/2609.02979",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/3qka83czv9ccz.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:52Z",
      "native_id": "2609.02979",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.02979"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "IDMate: Finite-temperature error bounds for window-resolved self-consistent-field screening",
  "title_text": "IDMate: Finite-temperature error bounds for window-resolved self-consistent-field screening",
  "type": "preprint",
  "updated_at": "2026-10-30T12:19:52Z",
  "url": "https://research.draconitic.com/paper/3qka83czv9ccz",
  "venue": "arXiv",
  "versions": []
}