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
Nov-2017Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriersSinha Ray, Suvonil; Mahapatra, U. S; Chaudhuri, R. K; Chattopadhyay, S
7-Jan-2017Communication: Viewing the ground and excited electronic structures of platinum and its ion through the window of relativistic coupled cluster methodSinha Ray, Suvonil; Chaudhuri, R. K; Chattopadhyay, 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
Jul-2017A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene’s voidsChaudhuri, S. K; Chaudhuri, R. K; Mukherjee, P. K; Chattopadhyay, S
2017Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degreeRay, S. S; Manna, S; Chaudhuri, R. K; Chattopadhyay, S
Oct-2014Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculationsChattopadhyay, S; Mahapatra, Uttam Sinha; Chaudhuri, R. K
21-Aug-2019Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinorsChaudhuri, R. K; Chattopadhyay, 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
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