STATE-SPECIFIC COUPLED CLUSTER-TYPE DRESSING OF MULTIREFERENCE SINGLES AND DOUBLES CONFIGURATION INTERACTION MATRIX

摘要

Using the theory of state-specific self-consistent intermediate Hamiltonians, one proposes a new dressing of a multireference (MR) singles and doubles configuration interaction (CI) Hamiltonian matrix which insures size consistency. The method is based on a coupled cluster (CC) type factorization of the coefficients of the triples and quadruples and can be considered as leading to a dressed CI formulation of a state-specific MRCC method. Preliminary application of the new procedure to the H-4 model and comparison with other MRCC schemes are presented. (C) 1996 American Institute of Physics. [References: 62]