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
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
Journal title :
Chemical Physics Letters