• Title of article

    Multireference self-consistent size-consistent configuration interaction method. A few applications to ground and excited states

  • Author/Authors

    Meller، نويسنده , , J. and Malrieu، نويسنده , , J.P. and Heully، نويسنده , , J.L.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1995
  • Pages
    8
  • From page
    440
  • To page
    447
  • Abstract
    The state-specific self-consistent dressing of a multireference CI matrix and a simplified scheme of MRCEPA(0) type are tested on a series of benchmark problems (H4, H2O, CH2+). The method is demonstrated to be strictly separable provided that the reference space is separable (i.e. it contains all products of localized reference states). The content of the method and its results are compared to those of other size-consistent multireference schemes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1995
  • Journal title
    Chemical Physics Letters
  • Record number

    1775047