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Cluster perturbation theory. V. Theoretical foundation for cluster linear target states
Cluster perturbation (CP) theory was developed in Paper I [F. Pawlowski et al., J. Chem. Phys. 150, 134108 (2019)] for a coupled cluster (CC) target state and is extended in this paper to comprehend a cluster linear (CL) ...
Cluster perturbation theory. II. Excitation energies for a coupled cluster target state
In cluster perturbation (CP) theory, we consider a target excitation space relative to a Hartree-Fock state and partition the target excitation space into a parent excitation space and an auxiliary excitation space. The ...
Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies
The cluster perturbation series, CPS(D), for coupled cluster singles and doubles excitation energies is considered. It is demonstrated that the second-order model CPS(D-2) is identical to the configuration interaction ...
Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies
We introduce a new class of perturbation models-the cluster perturbation (CP) models-where the major drawbacks of Moller-Plesset perturbation theory and coupled cluster perturbation theory have been eliminated. In CP theory, ...
Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties
The theoretical foundation has been developed for establishing whether cluster perturbation (CP) series for the energy, molecular properties, and excitation energies are convergent or divergent and for using a two-state ...