• Title of article

    Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions

  • Author/Authors

    Mayer، نويسنده , , I.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    3
  • From page
    284
  • To page
    286
  • Abstract
    The presentation of the wave function corresponding to an individual CIS solution can be dramatically simplified by using the singular value decomposition method: after transformation it contains no more than min(nocc, nvirt) excitations, and is dominated by one or a few ones. This should facilitate the interpretations and finding connections with the experimental spectra.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2007
  • Journal title
    Chemical Physics Letters
  • Record number

    1921535