• Title of article

    Two-electron wavefunctions.: Fourteenth-order expectation values

  • Author/Authors

    Erwin B. Montgomery Jr، نويسنده , , H.E.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    468
  • To page
    472
  • Abstract
    Variational perturbation theory is used to calculate a 14-order ground-state wavefunction for two electrons moving about a nucleus of charge Z. Fractional exponents are used to approximate the logarithmic terms in the exact wavefunction. Perturbation expansion coefficients for 15 operators are then calculated. Estimates of the accuracy of the calculation are obtained by comparison with exactly known first-order expectation values and with expectation values recovered from the perturbation energies of Baker, Freund, Hill and Morgan (Phys. Rev. A 41 (1990) 1247).
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1775312