{
  "abstract": "Floquet theory provides insight into the inversion of time-dependent Kohn-Sham density functional theory. Specifically, mathematical derivations show that the fundamental frequencies of a time-dependent wavefunction solution are the leading-order harmonics for the TD-KS state. Numerical tests of the resulting ansatz in 1D and 3D for atomic and molecular cases demonstrate its utility. In particular, low $L_{2}$ errors in the time-dependent density and longitudinal current were found, even though currents were not an explicit optimization objective. In all, the proposed inversion ansatz provides exchange-correlation potentials from time-dependent wavefunctions, is highly interpretable, and may significantly help in the development of nonadiabatic density functionals.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.34164",
  "author_total": 4,
  "authors": [
    {
      "name": "Paul M. Zimmerman"
    },
    {
      "name": "Joshua Kammeraad"
    },
    {
      "name": "Duy-Khoi Dang"
    },
    {
      "name": "Harish S. Bhat"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d9pcax6js2x4x.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.34164",
  "fulltext_url": null,
  "id": "d9pcax6js2x4x",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.34164",
  "language": null,
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  "licence_label": "arXiv licence",
  "licence_source": "article",
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  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
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  ],
  "openalex": "W7214763590",
  "pdf_url": "https://arxiv.org/pdf/2609.34164",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-29",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/d9pcax6js2x4x.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:25:31Z",
      "native_id": "2609.34164",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.34164"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    }
  ],
  "title": "Basis Functions for Time-Dependent Kohn-Sham Inversion",
  "title_text": "Basis Functions for Time-Dependent Kohn-Sham Inversion",
  "type": "preprint",
  "updated_at": "2026-10-30T12:25:31Z",
  "url": "https://research.draconitic.com/paper/d9pcax6js2x4x",
  "venue": "arXiv",
  "versions": []
}