{
  "annotation_id": "aa47d332-0538-4ec6-8291-a29450a42c45",
  "date_created": "2026-03-02T18:00:32.252000Z",
  "date_modified": "2026-03-02T18:00:32.252000Z",
  "file_hash": "a6bba28fdb8fb9340fdd306c1201f655f7d462676ad7909dd6db95470d944682",
  "private": false,
  "record": {
    "abstract": "The generalized Heitler-London (GHL) theory provides a straightforward way to\nexpress the potential energy surface of H_3 in terms of Coulomb and exchange\nenergies which can be calculated either by perturbation theory or using the\nsurface integral method (SIM). By applying the Rayleigh-Schroedinger\nperturbation theory, GHL theory for the quartet spin state of H_3 is shown to\nyield results equivalent to the symmetrized Rayleigh-Schroedinger version of\nsymmetry adapted perturbation theory (SAPT). This equivalence allows a\ncomparison with the corresponding results obtained by the surface integral\nmethod. The surface integral result calculated with a product of atomic wave\nfunctions is found to have certain advantages over the perturbation approach.",
    "arxiv_id": "physics/0011058",
    "authors": [
      "Tanja I. Sachse",
      "Ulrich Kleinekathoefer"
    ],
    "categories": [
      "physics.chem-ph"
    ],
    "title": "Generalized Heitler-London Theory for H_3: A Comparison of the Surface   Integral Method with Perturbation Theory",
    "url": "https://arxiv.org/abs/physics/0011058"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "23189e3a-a0d5-4e91-a1aa-64a5ed6d25ad",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}