{
  "abstract": "Adaptive natural density partitioning (Ad-NDP) sequentially extracts fragment natural orbitals from the one-electron density matrix. Herein, we show, with an exact and basisindependent argument, that the residual density left behind after two non-orthogonal bonding elements are extracted is not guaranteed to be N-representable. The breakdown has a precise, traceable origin: whenever two sequentially depleted orbitals carry a nonzero overlap, S12 ̸= 0, the second extraction re-subtracts density along a direction the first depletion step has already emptied, driving a diagonal element of the compressed 2 × 2 residual block negative independently of basis set, correlation treatment, or system size. At CCSD/cc-pVTZ, five benchmark multicenter systems (diborane, B−",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "name": "Cristian Guerra",
      "orcid": "0000-0002-9664-2504"
    },
    {
      "name": "Jose Burgos"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/6898p9cbvmyr9.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010528/v1",
  "fulltext_url": null,
  "id": "6898p9cbvmyr9",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010528/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7221792779",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010528/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-15",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/6898p9cbvmyr9.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:24Z",
      "native_id": "10.26434/chemrxiv.15010528",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010528/v1"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "openalex:3107|Advanced Chemical Physics Studies",
      "subfield": "amo"
    }
  ],
  "title": "Sequential Adaptive Natural Density Partitioning (AdNDP) Systematically Produces Non-N-Representable Densities",
  "title_text": "Sequential Adaptive Natural Density Partitioning (AdNDP) Systematically Produces Non-N-Representable Densities",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:24Z",
  "url": "https://research.draconitic.com/paper/6898p9cbvmyr9",
  "venue": "ChemRxiv",
  "versions": []
}