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Showing 10 out of a total of 124 results for community: IIAP Publications. (0.009 seconds)

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Taming the Electronic Structure of Lead and Eka-lead (Flerovium) by the Relativistic Coupled Cluster Method

Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S (American Chemical Society, 2013-09-12)
Four-component relativistic state-specific multireference perturbation theory with a simplified treatment of static correlation

Ghosh, A; Sinha Ray, Suvonil; Chaudhuri, R. K; Chattopadhyay, Sudip (American Chemical Society, 2017-02-23)
Revisiting the ‘cis-effect’ in 1,2-difluoro derivatives of ethylene and diazene using ab initio multireference methods

Banerjee, Debi; Ghosh, Anirban; Chattopadhyay, Sudip; Ghosh, Pradipta; Chaudhuri, R. K (Taylor & Francis, 2014-12)
Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problems

Ray, S. S; Manna, S; Ghosh, Anirban; Chaudhuri, R. K; Chattopadhyay, Sudip (WILEY-VCH Verlag GmbH & Co., 2019-02-15)
State-specific complete active space multireference Møller–Plesset perturbation approach for multireference situations: illustrating the bond breaking in hydrogen halides

Chattopadhyay, S; Mahapatra, U. S; Chaudhuri, R. K (Springer, 2012-04)
Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye plasma environment

Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S (American Institute of Physics, 2012-08)
Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States

Chattopadhyay, Sudip; Chaudhuri, R. K; Mahapatra, Uttam Sinha (John Wiley & Sons, 2011-10)
Random phase approximation for allowed and parity non-conserving electric dipole transition amplitudes and its connection with many-body perturbation theory and coupled-cluster theory

Gopakumar, G; Sur, C; Das, B. P; Chaudhuri, R. K; Mukherjee, D; Hirao, K (World Scientific Publishing Co, 2006)
Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient Method

Chattopadhyay, S; Chaudhuri, R. K; Freed, K. F (American Chemical Society, 2011-04)
Application of relativistic coupled cluster linear response theory to helium-like ions embedded in plasma environment

Madhulita Das; Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Mukherjee, P. K (IOP Publishing, 2011-08)

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