{
  "annotation_id": "45f2f4cd-985c-4257-bb3e-69a2c5d125c6",
  "date_created": "2026-03-02T18:01:21.787000Z",
  "date_modified": "2026-03-02T18:01:21.787000Z",
  "file_hash": "1d9d5db3333eb5d6dd8cbfc634350ce108bcdc09467311c0be9db95c7c4f6c93",
  "private": false,
  "record": {
    "abstract": "A computer adapted fluctuation formula for the calculation of the wavevector-\nand frequency-dependent dielectric permittivity for interaction site models of\npolar fluids within the Ewald summation technique is proposed and applied to\nmolecular dynamics simulations of the TIP4P water. The formula is analyzed and\noptimal parameters of the Ewald method are identified. A comparison of the\nobtained results with those evaluated within the reaction field approach is\nmade.",
    "arxiv_id": "physics/9901031",
    "authors": [
      "Igor P. Omelyan"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "doi": "10.1016/S0010-4655(97)00109-4",
    "journal_ref": "Comput. Phys. Commun. vol. 107 No 1/3 (1997) 113-122",
    "title": "Ewald summation technique for interaction site models of polar fluids",
    "url": "https://arxiv.org/abs/physics/9901031"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "5f6969b5-193e-4f60-bc66-4fd82740aa9a",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}