• Title of article

    Vibrational contributions to the static polarizability and hyperpolarizability of the NaF and NaCl molecules

  • Author/Authors

    Andrade، نويسنده , , Ormezindo P and Aragمo، نويسنده , , Adriano and Amaral، نويسنده , , Orlando A.V and Fonseca، نويسنده , , Tertius L and Castro، نويسنده , , Marcos A، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    6
  • From page
    270
  • To page
    275
  • Abstract
    In this work we report calculations of vibrational contributions to the static dipole polarizability and hyperpolarizability of the NaF and NaCl alkali metal halides. Results of the calculations obtained independently by means of the finite field and perturbation theory methods, at the Hartree–Fock, Möller–Plesset and coupled cluster levels, are in very good agreement and show that inclusion of the vibrational correction effects is an essential requisite in order to obtain reliable results for static electric properties of these molecules.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1785016