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Issue DateTitleAuthor(s)
Apr-2008Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theoryChaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Sinha Mahapatra, U
Apr-2005Comparison of low-order multireference many-body perturbation theoriesChaudhuri, R. K; Freed, K. F; Hose, G; Piecuch, P; Kowalski, K; Wloch, M; Chattopadhyay, S; Mukherjee, D; Rolik, Z; Szabados, A; Tóth, G; Surján, P. R
Aug-2008Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approachChaudhuri, R. K; Hammond, J. R; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
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
3-Oct-2013Theoretical Studies of the Ground and Excited State Structures of StilbeneChaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
Apr-2012Theoretical aids in screening candidates for atomic clocks: Illustration for Yb IIChaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
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