• Title of article

    Extension of the perturbed matrix method: application to a water molecule

  • Author/Authors

    Spezia، نويسنده , , Riccardo and Aschi، نويسنده , , Massimiliano and Di Nola، نويسنده , , Alfredo and Amadei، نويسنده , , Andrea، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    7
  • From page
    450
  • To page
    456
  • Abstract
    In this Letter we extend the perturbed matrix method by explicitly including the nuclear degrees of freedom and showing how to treat a non-homogeneous electric field. In a previous Letter we showed that this method provides reliable perturbed energies. In the present Letter we evaluate a more sophisticated property such as molecular polarizability for a water molecule.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1782398