Browsing by Author Chattopadhyay, S

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Issue DateTitleAuthor(s)
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
Dec-2008Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systemsChattopadhyay, S; Chaudhuri, R. K; Mahapatra, U. S
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-2012Application of relativistic Fock-space coupled-cluster theory to study Li and Li-like ions in plasmaMadhulita, Das; Das, M; Chaudhuri, R. K; Chattopadhyay, S
Jan-2009Application of state-specific multireference Møller-Plesset perturbation theory to nonsinglet statesMahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
Aug-2006Applications of core-valence extensive multi-reference coupled cluster theory and core-extensive coupled cluster-based linear response theoryNayak, M. K; Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S
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
Oct-2014Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculationsChattopadhyay, S; Mahapatra, Uttam Sinha; Chaudhuri, R. 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
13-Feb-2017Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structureSinha Ray, Suvonil; Ghosh, Pradipta; Chaudhuri, R. K; Chattopadhyay, S
21-May-2009Investigation of low-lying states of oxygen molecule via second-order multireference perturbation theory: a state-specific approachChattopadhyay, S; Mahapatra, U. S; 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
Jul-2008Molecular applications of state-specific multireference perturbation theory to HF, H/sub2O, H/sub 2S, C/sub 2, and N/sub 2 moleculesMahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K
Sep-2014Parametric models of the periodogramMohan, Prashanth; Mangalam, A; Chattopadhyay, 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
Jun-2015Profiling the binding motif between Be and Mg in the ground state via a single-reference coupled cluster methodMahapatra, U. S; Banerjee, Debi; Chaudhuri, R. K; Chattopadhyay, S
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
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
23-Sep-2016Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfacesGhosh, A; Chaudhuri, R. K; Chattopadhyay, S
5-Oct-2015Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: application to the ground state single-bond dissociationGhosh, A; Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S