Chattopadhyay, S; Chaudhuri, R. K; Mahapatra, Uttam Sinha
(John Wiley & Sons, 2015-05-12)
Adaptation of improved virtual orbitals (IVOs) in state‐specific multireference perturbation theory using Møller–Plesset multipartitioning of the Hamiltonian (IVO‐SSMRPT) is examined in which the IVO‐complete active space ...