• Title of article

    Analytical expressions of exchange and three-center nuclear attraction integrals over 1s and 2s Slater orbitals with different exponents

  • Author/Authors

    Ruiz، نويسنده , , Marيa Belén and Peuker، نويسنده , , Katrin، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    6
  • From page
    244
  • To page
    249
  • Abstract
    Compact analytical formulas are given for exchange integrals and three-center nuclear attraction integrals using nonorthogonal Slater orbitals with equal and different exponents which appear in a Hylleraas-CI basis. Since all exponents in the integrals may be different, they are appropriate to optimize exponents and therefore to shorten the wave function expansions.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2005
  • Journal title
    Chemical Physics Letters
  • Record number

    1916188