• Title of article

    Effects of finite basis set expansion and electron correlation on the atomic shell structure from average local electrostatic potential functions

  • Author/Authors

    De Proft، نويسنده , , F. and Sen، نويسنده , , K.D. and Geerlings، نويسنده , , P.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1995
  • Pages
    5
  • From page
    154
  • To page
    158
  • Abstract
    The shell structure of a selected number of atoms is studied using the average local electrostatic potential function V(r)/ϱ(r) and Gaussian type orbitals. In addition, the influence of electron correlation on this function is discussed: these effects are shown to be small and can be neglected in comparison with the effect associated with basis set extension.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1995
  • Journal title
    Chemical Physics Letters
  • Record number

    1775425