Hybrid coupled cluster methods: Combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples
Hybrid coupled cluster methods: Combining active space coupled cluster methods with coupled
cluster singles, doubles, and perturbative triples | The Journal of Chemical Physics | AIP …
cluster singles, doubles, and perturbative triples | The Journal of Chemical Physics | AIP …
A simplified account of the correlation effects to bond breaking processes: The Brillouin-Wigner perturbation theory using a multireference formulation
S Manna, SS Ray, S Chattopadhyay… - The Journal of …, 2019 - pubs.aip.org
Adaptation of improved virtual orbital complete active space configuration interaction
functions in state-specific multireference perturbation theory motivated by the Brillouin …
functions in state-specific multireference perturbation theory motivated by the Brillouin …
Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers
SS Ray, US Mahapatra, RK Chaudhuri… - Computational and …, 2017 - Elsevier
A second-order multireference perturbation theory, termed as IVO-SSMRPT which allows
the use of CASCI reference wave functions with improved virtual orbitals (IVO) for capturing …
the use of CASCI reference wave functions with improved virtual orbitals (IVO) for capturing …
Hybrid Coupled Cluster Methods Based on the Split Virtual Orbitals: Barrier Heights of Reactions and Spectroscopic Constants of Open-Shell Diatomic Molecules
We report an efficient implementation of the coupled cluster (CC) singles, doubles, and a
hybrid treatment of triples based on the split virtual orbitals (SVO-CCSD (T)-h) method [J …
hybrid treatment of triples based on the split virtual orbitals (SVO-CCSD (T)-h) method [J …