{
  "annotation_id": "4b571fd3-d903-4807-a9ac-305ad98e5bd8",
  "date_created": "2026-03-02T18:02:33.573000Z",
  "date_modified": "2026-03-02T18:02:33.573000Z",
  "file_hash": "d453210c7078c384c7969ebe25b6bae30a19c8b5cc6b5e0d81d82c10454f864b",
  "private": false,
  "record": {
    "abstract": "We study the relation between quantum entanglement and electron correlation\nin quantum chemistry calculations. We prove that the Hartree-Fock (HF) wave\nfunction does not violate Bell\u0027s inequality, thus is not entangled while the\nconfiguration interaction (CI) wave function is entangled since it violates\nBell\u0027s inequality. Entanglement is related to electron correlation and might be\nused as an alternative measure of the electron correlation in quantum chemistry\ncalculations. As an example we show the calculations of entanglement for the\nH$_2$ molecule and how it is related to electron correlation of the system,\nwhich is the difference between the exact and the HF energies.",
    "arxiv_id": "quant-ph/0701081",
    "authors": [
      "Hefeng Wang",
      "Sabre Kais"
    ],
    "categories": [
      "quant-ph"
    ],
    "title": "Quantum Entanglement and Electron Correlation in Molecular Systems",
    "url": "https://arxiv.org/abs/quant-ph/0701081"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "bdcaf996-db0b-4281-9563-d5945909e226",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}