• Title of article

    Zero point corrections to vertical excitation energies

  • Author/Authors

    Davidson، نويسنده , , Ernest R. and Jarz?cki، نويسنده , , Andrzej A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    155
  • To page
    159
  • Abstract
    Equations relating the vertical excitation or ionization energy to the average energy of the observed spectrum are derived. For the V–N transition of ethylene, this gives 7.8 eV for the vertical excitation energy. For the vertical ionization of ethylene, the average energy yields 10.73 eV while correction to the observed 0–0 energy suggests that 10.81 eV is a more accurate value.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1772566