{
  "annotation_id": "f2928d78-adba-4c2f-aa3a-e38fbb7163e5",
  "date_created": "2026-03-02T18:00:39.222000Z",
  "date_modified": "2026-03-02T18:00:39.222000Z",
  "file_hash": "a66730e52ec6f99f7dbf71b774391731ce541daed6da12910e31a02f566519a5",
  "private": false,
  "record": {
    "abstract": "A semiempirical parametric method is proposed for modeling three-dimensional\n(time-resolved) vibronic spectra of polyatomic molecules. The method is based\non the use of the fragment approach in the formation of molecular models for\nexcited electronic states and parametrization of these molecular fragments by\nmodeling conventional (one-dimensional) absorption and fluorescence spectra of\npolyatomic molecules. All matrix elements that are required for calculation of\nthe spectra can be found by the methods developed. The time dependencies of the\npopulations of a great number (\u003e10^3) of vibronic levels can be most\nconveniently found by using the iterative numerical method of integration of\nkinetic equations. Convenient numerical algorithms and specialized software for\nPC are developed. Computer experiments showed the possibility of the real-time\nmodeling of three-dimensional spectra of polyatomic molecules containing\nseveral tens of atoms.",
    "arxiv_id": "physics/0210020",
    "authors": [
      "S. A. Astakhov",
      "V. I. Baranov"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.comp-ph",
      "physics.optics"
    ],
    "doi": "10.1134/1.1351575",
    "journal_ref": "Optics and Spectroscopy, Vol.90, No.2, 2001, pp.199-206",
    "title": "Modeling of the time-resolved vibronic spectra of polyatomic molecules:   the formulation of the problem and analysis of kinetic equations",
    "url": "https://arxiv.org/abs/physics/0210020"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "2bb86ba3-fbdb-4887-9129-234ec39bca51",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}