Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Sinha Mahapatra, U
(American Institute of Physics, 2008-04)
Multireference Møller–Plesset (MRMP) perturbation theory [K. Hirao, Chem. Phys. Lett. 190, 374 (1992)] is modified to use improved virtual orbitals (IVOs) and is applied to study ground state potential energy curves for ...