{
  "abstract": "Combinatorial growth of configuration-interaction spaces limits accurate calculations as the valence-electron number and orbital space increase. To reduce the size of the configuration-interaction space, we develop coherent heat-bath configuration interaction in a configuration-state-function basis and combine it with many-body perturbation theory. Configurations are selected by thresholding their coherent couplings to target wave functions, and a perturbative correction recovers residual valence correlation. For Al, a stringent threshold gives about 16-37 fold compression with excitation-energy deviations from the uncompressed calculations below 0.74 /cm; a looser threshold gives 63-113 fold compression with a maximum deviation of 18.22 /cm. For Si and P, roughly threefold to eightfold compression is achieved with maximum relative deviations of approximately 0.70% and 0.32%, respectively, for optical excitation energies. The perturbative correction improves the accuracy of all calculated total energies. These results support extending the method to high-precision calculations in more complex atomic systems.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2611.00731",
  "author_total": 3,
  "authors": [
    {
      "name": "Shi-Cheng Yu"
    },
    {
      "name": "Zhen-Xiang Zhong"
    },
    {
      "name": "Cheng-Bin Li"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/dke2emmj13r1e.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2611.00731",
  "fulltext_url": null,
  "id": "dke2emmj13r1e",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2611.00731",
  "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",
      "physics.atom-ph"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2611.00731",
  "pmcid": null,
  "pmid": null,
  "published": "2026-11-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/dke2emmj13r1e.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T12:20:59Z",
      "native_id": "2611.00731",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2611.00731"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.atom-ph",
      "subfield": "amo"
    }
  ],
  "title": "Coherent heat-bath configuration interaction with many-body perturbation theory for multivalent atoms",
  "title_text": "Coherent heat-bath configuration interaction with many-body perturbation theory for multivalent atoms",
  "type": "preprint",
  "updated_at": "2026-11-05T15:20:18Z",
  "url": "https://research.draconitic.com/paper/dke2emmj13r1e",
  "venue": "arXiv",
  "versions": []
}