{
  "annotation_id": "2119be40-2b33-4929-9fb8-75812eebeceb",
  "date_created": "2026-03-02T18:00:28.739000Z",
  "date_modified": "2026-03-02T18:00:28.739000Z",
  "file_hash": "bd2dfdbb92d7cc8e5850cf6b86d21eea996dc3f94dd7f00b0c4225696fbe9d4d",
  "private": false,
  "record": {
    "abstract": "A benchmark study has been carried out on the ground-state potential curve of\nthe hydroxyl anion, OH^{-}, including detailed calibration of both the\n1-particle and n-particle basis sets. The CCSD(T) basis set limit overestimates\n$\\omega_e$ by about 10 cm^{-1}, which is only remedied by inclusion of\nconnected quadruple excitations in the coupled cluster expansion --- or,\nequivalently, the inclusion of the $2\\pi$ orbitals in the active space of a\nmultireference calculation. Upon inclusion of scalar relativistic effects (-3\ncm^{-1} on $\\omega_e$), a potential curve of spectroscopic quality (sub-cm^{-1}\naccuracy) is obtained. Our best computed EA(OH), 1.828 eV, agrees to three\ndecimal places with the best available experimental value. Our best computed\ndissociation energies, D_0(OH^-)=4.7796 eV and D_0(OH)=4.4124 eV, suggest that\nthe experimental D_0(OH)=4.392 eV may possibly be about 0.02 eV too low.",
    "arxiv_id": "physics/0003039",
    "authors": [
      "Jan M. L. Martin"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.ao-ph",
      "physics.plasm-ph",
      "physics.space-ph"
    ],
    "doi": "10.1016/S1386-1425(00)00450-9",
    "journal_ref": "Spectrochimica Acta A 57(4), 875-885 (2001)",
    "title": "A fully {\\it ab initio} potential curve of near-spectroscopic quality   for the OH^- anion: importance of connected quadruple excitations and scalar   relativistic effects",
    "url": "https://arxiv.org/abs/physics/0003039"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "81f45209-da9b-46e0-ab6b-671216bdd06b",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}