{
  "annotation_id": "794b33b0-4350-4fea-8ea5-e17b77e6ccce",
  "date_created": "2026-03-02T18:00:35.918000Z",
  "date_modified": "2026-03-02T18:00:35.918000Z",
  "file_hash": "3901291047c728ba1e844890b45d0ec65b5581cf5f18f8fc6e67acb36d34a4c2",
  "private": false,
  "record": {
    "abstract": "We propose a simple cluster-based method with application to calculations of\nCompton profile anisotropies of ice. The convergence of the method is checked\nwith respect to Crystal95 results. Increasing both basis-set quality and\ncluster sizes results in a decrease of the magnitude of theoretical Compton\nanisotropies. The agreement with experimental data is therefore improved\ntowards previously calculated anisotropies. Moreover, analyzing directional\nautocorrelation functions shows an evidence for both anti-bonding and\npolarization effects.",
    "arxiv_id": "physics/0111157",
    "authors": [
      "Sebastien Ragot",
      "Jean-Michel Gillet",
      "Pierre J. Becker"
    ],
    "categories": [
      "physics.chem-ph",
      "cond-mat.mtrl-sci",
      "physics.atm-clus",
      "physics.atom-ph",
      "physics.comp-ph"
    ],
    "doi": "10.1103/PhysRevB.65.235115",
    "journal_ref": "S. Ragot, J.-M. Gillet, and P. J. Becker. Phys. Rev. B 65, 235115\n  (2002)",
    "title": "Interpreting Compton anisotropy of ice Ih: a cluster partitioning method",
    "url": "https://arxiv.org/abs/physics/0111157"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "0d9e0127-74aa-422c-bdb0-61e806cfca0b",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}