{
  "abstract": "We develop a structure-preserving full approximation scheme (FAS) for the real-space restricted Hartree-Fock equations. The method treats the orbital equations, Coulomb and exchange pair potentials, and orthonormality constraints as a coupled nonlinear system on a hierarchy of finite-element spaces. Forced Gram targets, occupied-frame alignment, and auxiliary-variable reconstruction provide constraint compatibility and occupied-rotation equivariance under suitable assumptions. Analysis of the full self-consistent response identifies an elliptic kinetic principal part, motivating the multilevel treatment. The resulting solver, FAS-H, combines FAS cycles with a residual-triggered horizontal Newton correction on the finest grid. Numerical experiments on eight closed-shell systems show convergence in 4-11 cycles across three grid levels. Across 24 system-grid comparisons, FAS-H is 1.60-5.02 times faster than SCF and uses 68-91% less weighted FFT work, while standalone horizontal Newton is faster in some cases.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2611.00880",
  "author_total": 1,
  "authors": [
    {
      "name": "Yuejia Zhang"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/77eqym8hn4ejf.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2611.00880",
  "fulltext_url": null,
  "id": "77eqym8hn4ejf",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2611.00880",
  "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.comp-ph"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2611.00880",
  "pmcid": null,
  "pmid": null,
  "published": "2026-11-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/77eqym8hn4ejf.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T12:20:59Z",
      "native_id": "2611.00880",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2611.00880"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    }
  ],
  "title": "Structure-Preserving Full Approximation Scheme for Real-Space Hartree-Fock Equations",
  "title_text": "Structure-Preserving Full Approximation Scheme for Real-Space Hartree-Fock Equations",
  "type": "preprint",
  "updated_at": "2026-11-03T12:20:59Z",
  "url": "https://research.draconitic.com/paper/77eqym8hn4ejf",
  "venue": "arXiv",
  "versions": []
}