• Title of article

    Investigations of the CASE approximation using the optimal partition of the Coulomb operator

  • Author/Authors

    Lee، نويسنده , , Aaron M، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    172
  • To page
    176
  • Abstract
    A number of recently developed techniques for the computation of the Coulomb energy in O(N) work derive from the partitioning of 1/r into short- and long-range components. Considering only the short-range component of this operator yields the Coulomb-attenuated Schrِdinger equation (CASE). We examine the chemistry resulting from the combination of the CASE approximation with the optimal partition of the Coulomb operator.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1774625