{
  "annotation_id": "d4ebcfe6-7158-4420-9df0-959b2294120a",
  "date_created": "2026-03-02T18:01:21.782000Z",
  "date_modified": "2026-03-02T18:01:21.782000Z",
  "file_hash": "5c629d4a633329918fbd055913507bb17198a91045135527ab8d506eb367c59e",
  "private": false,
  "record": {
    "abstract": "A new scheme for numerical integration of motion for classical systems\ncomposed of rigid polyatomic molecules is proposed. The scheme is based on a\nmatrix representation of the rotational degrees of freedom. The equations of\nmotion are integrated within the Verlet framework in velocity form. It is shown\nthat, contrary to previous methods, in the approach introduced the rigidity of\nmolecules can be conserved automatically without any additional\ntransformations. A comparison of various techniques with respect to numerical\nstability is made.",
    "arxiv_id": "physics/9901026",
    "authors": [
      "Igor P. Omelyan"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "doi": "10.1016/S0010-4655(98)00024-1",
    "journal_ref": "Comput. Phys. Commun. 109 No 2/3 (1998) 171-183",
    "title": "Numerical integration of the equations of motion for rigid polyatomics:   The matrix method",
    "url": "https://arxiv.org/abs/physics/9901026"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "fa5b3520-e8ec-4c8a-9d08-91a77e5a39b6",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}