Ray, S. S; Manna, S; Ghosh, Anirban; Chaudhuri, R. K; Chattopadhyay, Sudip
(WILEY-VCH Verlag GmbH & Co., 2019-02-15)
IVO‐SSMRPT is an affordable and accurate type of state‐specific multireference perturbation (SSMRPT) theory that adds dynamic correlation energy to improved virtual orbital (IVO) complete active space configuration interaction ...