Journal of Chemical Physics, Vol.108, No.22, 9227-9235, 1998
Fock-space coupled-cluster method in the intermediate Hamiltonian formulation: Model with singles and doubles
The intermediate Hamiltonian technique is applied to reformulate the Fock-space coupled-cluster (FSCC) method with singles and doubles. A version of FSCC designated to direct calculation of excitation energies is considered. The presented scheme offers several advantages over those used so far;like simplification of the equations, smooth convergence, and the possibility of one-root calculation. Results of some illustrative numerical examples are also shown where comparison with other methods as well as with the full configuration interaction results is available.