Browsing by Author Mahapatra, U. S

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Issue DateTitleAuthor(s)
Jul-2002Accurate Calculations of Interstellar Lines of Mg+ Using the Coupled Cluster ApproachMajumder, S; Merlitz, H; Gopakumar, G; Das, B. P; Mahapatra, U. S; Mukherjee, Debashis
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
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
Feb-2001Core effects on ionization potentials in thalliumMerlitz, H; Gopakumar, G; Chaudhuri, R. K; Das, B. P; Mahapatra, U. S; Mukherjee, D
Sep-2002Electric dipole and quadrupole transition amplitudes for Ba+ using the relativistic coupled-cluster methodGopakumar, G; Merlitz, H; Chaudhuri, R. K; Das, B. P; Mahapatra, U. S; Mukherjee, D
28-May-2003Influence of correlation effects on the magnetic dipole hyperfine interaction in the low-lying states of Ca+Sahoo, B. K; Chaudhuri, R. K; Das, B. P; Majumder, S; Merlitz, H; Mahapatra, U. S; Mukherjee, D
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
Sep-2001Ionization potential and excitation energy calculations for Ba+ using the relativistic coupled-cluster methodGopakumar, G; Merlitz, H; Majumder, S; Chaudhuri, R. K; Das, B. P; Mahapatra, U. S; Mukherjee, D
Nov-2000Ionization potentials of beryllium-like ions from the relativistic coupled-cluster-based linear response theoryChaudhuri, R. K; Panda, P. K; Merlitz, H; Das, B. P; Mahapatra, U. S; Mukherjee, D
Oct-2003Magnetic dipole hyperfine interactions in 137Ba+ and the accuracies of the neutral weak interaction matrix elementsSahoo, B. K; Gopakumar, G; Chaudhuri, R. K; Das, B. P; Merlitz, H; Mahapatra, U. S; Mukherjee, D
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
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
Nov-2003Relativistic coupled cluster calculations of the energies for rubidium and cesium atomsChaudhuri, R. K; Sahoo, B. K; Das, B. P; Merlitz, H; Mahapatra, U. S; Mukherjee, D