• Title of article

    Polarizabilities as a test of localized approximations to the self-interaction correction

  • Author/Authors

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

  • Issue Information
    روزنامه با شماره پیاپی سال 2009
  • Pages
    6
  • From page
    300
  • To page
    305
  • Abstract
    We present applications of the recently introduced ‘Generalized SIC-Slater’ scheme which provides a simple self-interaction correction approximation in the framework of the optimized effective potential. We focus on the computation of static polarizabilities which are known to constitute stringent tests for density-functional theory. We apply the new method to model H chains, but also to more realistic systems such as C4 (organic) chains, and less symmetrical systems such as a Na5 (metallic) cluster. Comparison is made with other SIC schemes, especially with the standard SIC-Slater one.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2009
  • Journal title
    Chemical Physics Letters
  • Record number

    1927494