• Title of article

    An accurate closed-form expression for the partition function of Morse oscillators

  • Author/Authors

    Strekalov، نويسنده , , M.L.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    4
  • From page
    209
  • To page
    212
  • Abstract
    On the basis of the Poisson summation formula, an explicit expression is proposed to evaluate the vibrational partition function for a mode with either negative or positive anharmonicity. This formula gives numerical values almost identical to exact values over the entire temperature range from zero to infinity. The developed approximation will also be available in numerical calculations of the whole vibrational partition function for polyatomic molecules.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2007
  • Journal title
    Chemical Physics Letters
  • Record number

    1921738