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Issue DateTitleAuthor(s)
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
Oct-2011Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground StatesChattopadhyay, Sudip; Chaudhuri, R. K; Mahapatra, Uttam Sinha
Mar-2011Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited statesMadhulita Das; Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S
Apr-2011Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approachChattopadhyay, Sudip; Chaudhuri, R. K; Freed, Karl F
Aug-2011Application of relativistic coupled cluster linear response theory to helium-like ions embedded in plasma environmentMadhulita Das; Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Mukherjee, P. K
Apr-2011Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient MethodChattopadhyay, S; Chaudhuri, R. K; Freed, K. F
Aug-2011Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion statesChaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
Oct-2011Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S− and 35,37ClMadhulita Das; Chaudhuri, R. K; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha