{
  "annotation_id": "bb1b440f-820f-4f14-b52e-5988f29bdaba",
  "date_created": "2026-03-02T18:01:14.528000Z",
  "date_modified": "2026-03-02T18:01:14.528000Z",
  "file_hash": "7f8d26e2587127ce524b16ed865547dbb99680ed802b42bb19a955543b54d315",
  "private": false,
  "record": {
    "abstract": "In this paper we discuss a method for calculating transfer integrals based on\nthe ZINDO Hamiltonian which requires only a single self consistent field on an\nisolated molecule to be performed in order to determine the transfer integral\nfor a pair of molecules. This method is compared to results obtained by\nprojection of the pair of molecules\u0027 molecular orbitals onto the vector space\ndefined by the molecular orbitals of each isolated molecule. The two methods\nare found to be in good agreement using three compounds as model systems:\npentacene, ethylene and hexabenzocoronene.",
    "arxiv_id": "physics/0610288",
    "authors": [
      "James Kirkpatrick"
    ],
    "categories": [
      "physics.chem-ph"
    ],
    "title": "An approximate method for calculating transfer integrals based on the   ZINDO Hamiltonian",
    "url": "https://arxiv.org/abs/physics/0610288"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "e0e7f55d-675f-4362-8c0e-df6f37e8470f",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}