State-specific coupled cluster-type dressing of multireference singles and doubles configuration interaction matrix
- 15 March 1996
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 104 (11) , 4068-4076
- https://doi.org/10.1063/1.471220
Abstract
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 H4 model and comparison with other MRCC schemes are presented.Keywords
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