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Issue DateTitleAuthor(s)
27-Nov-2013Reappraisal of Nuclear Quadrupole Moments of Atomic Halogens via Relativistic Coupled Cluster Linear Response Theory for the Ionization ProcessChaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S
18-Mar-2010Second-order state-specific multireference moller-plesset perturbation theory (SS-MRMPPT) applied to geometry optimizationMahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
May-2010Studies on m-benzyne and phenol via improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient methodChattopadhyay, S; Chaudhuri, R. K; Mahapatra, U. S
Mar-2010Study of equilibrium geometries of diradicaloid systems via state specific multireference Moller-Plesset perturbation theory (SS-MRMPPT)Chattopadhyay, S; Mahapatra, U. S; Chaudhuri, R. K
Mar-2010Study of the ground state dissociation of diatomic molecular systems using state-specific multireference perturbation theory: a Brillouin-Wigner schemeMahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
Jan-2011Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadieneMahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
Feb-2011Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theoryNayak, M. K; Chaudhuri, R. K
Jan-2010Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction methodChaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Freed, K. F
Oct-2011Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground StatesChattopadhyay, Sudip; Chaudhuri, R. K; Mahapatra, Uttam Sinha
5-Jun-2012State specific multireference moller–plesset perturbation theory: a few applications to ground, excited and ionized statesChattopadhyay, S; Mahapatra, U. S; Chaudhuri, R. K