Sinha Ray, Suvonil; Ghosh, A; Shit, Anindita; Chaudhuri, R. K; Chattopadhyay, S
(Royal Society of Chemistry Publishing, 2017-09)
he present investigation reports on the prospect of usi
ng state specific multireference perturbation theory
(SSMRPT) with an improved virtual orbital complete ac
tive space configuration interaction (IVO-CASCI)
reference ...