• Title of article

    Improved Slater approximation to SIC–OEP

  • Author/Authors

    J. Messud، نويسنده , , J. and Dinh، نويسنده , , P.M. and Reinhard، نويسنده , , P.-G. and Suraud، نويسنده , , E.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2008
  • Pages
    5
  • From page
    316
  • To page
    320
  • Abstract
    We propose a simplification of the optimized effective potential (OEP) method applied to the self-interaction correction (SIC) on the local density approximation (LDA) in density-functional theory (DFT). The new scheme fulfills crucial formal key properties. It turns out to be simple and accurate. We apply the new method to a schematic model for a dimer molecule and to the C atom. We discuss observables which are especially sensitive to details of the SIC.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2008
  • Journal title
    Chemical Physics Letters
  • Record number

    1924733