• Title of article

    Accurate adiabatic correction for the hydrogen molecule using the Born-Handy formula

  • Author/Authors

    Cencek، نويسنده , , Wojciech and Kutzelnigg، نويسنده , , Werner، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    5
  • From page
    383
  • To page
    387
  • Abstract
    The adiabatic correction has been computed for the ground state of the hydrogen molecule at R = 1.4 bohr using the formula suggested by Handy — that avoids the specification of the relative coordinates — and Gaussian geminal wavefunctions. It is demonstrated that this method allows one to obtain easily very accurate results. The computed value for H2 has an accuracy of 10−4 cm−1.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1779803