{
  "annotation_id": "96fc42c5-2905-419b-904e-2baa49354f09",
  "date_created": "2026-03-02T18:00:46.502000Z",
  "date_modified": "2026-03-02T18:00:46.502000Z",
  "file_hash": "02b78a78eabcc957495ece249137a2766aa1593909a2da34f18c31746454c066",
  "private": false,
  "record": {
    "abstract": "We present a multigrid scheme for the solution of finite-element Hartree-Fock\nequations for diatomic molecules. It is shown to be fast and accurate, the time\neffort depending linearly on the number of variables. Results are given for the\nmolecules LiH, BH, N_2 and for the Be atom in our molecular grid which agrees\nvery well with accurate values from an atomic code. Highest accuracies were\nobtained by applying an extrapolation scheme; we compare with other numerical\nmethods. For N_2 we get an accuracy below 1 nHartree.",
    "arxiv_id": "physics/0307108",
    "authors": [
      "O. Beck",
      "D. Heinemann",
      "D. Kolb"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "title": "Fast and accurate molecular Hartree-Fock with a finite-element multigrid   method",
    "url": "https://arxiv.org/abs/physics/0307108"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "933be33d-fffb-405e-9a24-2a6a7f1fc2f8",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}