Mahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
(American Chemical Society, 2010-03)
The size-extensive second-order state-specific (or single root) multireference (MR) perturbation theory (SS-MRPT) in the Brillouin-Wigner (BW) form using Moller-Plesset perturbative evaluations of orders up to 2 [termed ...