{
  "abstract": "The Wigner function provides a complete phase-space representation of a quantum state. Yet, direct experimental access to such a quantity for electrons in crystalline solids remains an elusive goal. Here, we report the first reconstruction of an experimental one-electron Wigner function in a molecular crystal. By jointly refining an ensemble N-representable model against high-resolution X-ray diffraction structure factors and directional Compton profiles, we reconstruct a 6D phase-space distribution consistent with both position- and momentum-space data. The reconstructed Wigner function exhibits pronounced negative regions that provide a direct indication of the non-classical nature of the electronic state and shows remarkable agreement with correlated post-Hartree–Fock calculations. Our results demonstrate that complementary scattering experiments can be unified within a single phase-space tomography approach, opening a route towards experimentally reconstructed electron quantum states in crystalline materials.",
  "abstract_shown": true,
  "affiliations": [
    "Université Paris-Saclay, CentraleSupélec, CNRS, Laboratoire SPMS, 91190, Gif-sur-Yvette, France"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Sizhuo Yu",
      "orcid": "0009-0004-4248-0791"
    },
    {
      "affs": [
        0
      ],
      "name": "Jean-Michel Gillet",
      "orcid": "0000-0001-7922-8152"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/cqwn2ax2kkcez.bib",
  "cited_by": 0,
  "doi": "10.1107/s2053273326009678",
  "fulltext_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13720706/",
  "id": "cqwn2ax2kkcez",
  "issns": [
    "2053-2733"
  ],
  "landing_url": "https://doi.org/10.1107/s2053273326009678",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Research Papers"
    ],
    [
      "openalex",
      "2505|X-ray Diffraction in Crystallography"
    ]
  ],
  "openalex": "W7221183472",
  "pdf_url": "https://journals.iucr.org/a/issues/2026/06/00/pl5056/pl5056.pdf",
  "pmcid": "PMC13720706",
  "pmid": "42852491",
  "published": "2026-10-09",
  "publisher": "International Union of Crystallography",
  "ris": "https://research.draconitic.com/paper/cqwn2ax2kkcez.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T12:21:32Z",
      "native_id": "PMC13720706",
      "source": "pmc",
      "url": "https://doi.org/10.1107/s2053273326009678"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|X-ray Diffraction in Crystallography",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Determination of the one-electron reduced Wigner function for a molecular crystal",
  "title_text": "Determination of the one-electron reduced Wigner function for a molecular crystal",
  "type": "peer-reviewed",
  "updated_at": "2026-11-03T12:21:32Z",
  "url": "https://research.draconitic.com/paper/cqwn2ax2kkcez",
  "venue": "Acta Crystallographica Section A: Foundations and Advances",
  "versions": []
}