Chattopadhyay, S; Mahapatra, U. S; Chaudhuri, R. K
(Elsevier, 2010-03)
The numerical gradient scheme for rigorously size-extensive spin-free state-speci. c multireference Moller-Plesset perturbation theory based on Rayleigh-Schrdinger expansion (termed as SS-MRMPPT) has been employed for ...