{
  "annotation_id": "fd09f76f-b295-43a5-b6ac-8e42ba953554",
  "date_created": "2026-03-02T18:01:04.229000Z",
  "date_modified": "2026-03-02T18:01:04.229000Z",
  "file_hash": "e3691aa91b4e4bdff2b3508669ba3a5b287b63e05c61eb6b707d27cddb4686ff",
  "private": false,
  "record": {
    "abstract": "Analytical Hartree-Fock gradients with respect to the cell parameter have\nbeen implemented in the electronic structure code CRYSTAL, for the case of one\nand two-dimensional periodicity. As in most molecular codes, Gaussian type\norbitals are used to express the wavefunction. Examples demonstrate that the\ngradients have a good accuracy.",
    "arxiv_id": "physics/0512172",
    "authors": [
      "K. Doll",
      "R. Dovesi",
      "R. Orlando"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "title": "Analytical Hartree-Fock gradients with respect to the cell parameter:   systems periodic in one and two dimensions",
    "url": "https://arxiv.org/abs/physics/0512172"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "32481914-d299-4b54-9096-cae619dd8cf3",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}