Time-dependent optimized coupled-cluster method with doubles and perturbative triples [TD-OCCD(T)] for first principles simulation of multielectron dynamics

Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

We report the formulation of a new, cost-effective approximation method in the time-dependent optimized coupled-cluster (TD-OCC) framework [T. Sato et al., J. Chem. Phys. 148, 0511…