• Title of article

    Coulomb energies via Stewart densities

  • Author/Authors

    Lee، نويسنده , , Aaron M. and Gill، نويسنده , , Peter M.W.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    7
  • From page
    226
  • To page
    232
  • Abstract
    We show that the long-range part of the Coulomb self-energy of an electron density ρ(r) is almost identical to that of its associated Stewart density ρ̃(r). Since the latter is obtained by fitting ρ(r) within an auxiliary basis of only s functions, our proposal can be viewed as a hybrid of the RI (resolution of the identity) and KWIK methods.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1772831