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Reappraisal of Nuclear Quadrupole Moments of Atomic Halogens via Relativistic Coupled Cluster Linear Response Theory for the Ionization Process

Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S (American Chemical Society, 2013-11-27)
Study of equilibrium geometries of diradicaloid systems via state specific multireference Moller-Plesset perturbation theory (SS-MRMPPT)

Chattopadhyay, S; Mahapatra, U. S; Chaudhuri, R. K (Elsevier, 2010-03)
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method

Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Freed, K. F (American Institute of Physics, 2010-01)
Study of the ground state dissociation of diatomic molecular systems using state-specific multireference perturbation theory: a Brillouin-Wigner scheme

Mahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K (American Chemical Society, 2010-03)
Second-order state-specific multireference moller-plesset perturbation theory (SS-MRMPPT) applied to geometry optimization

Mahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K (American Chemical Society, 2010-03-18)
Studies on m-benzyne and phenol via improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method

Chattopadhyay, S; Chaudhuri, R. K; Mahapatra, U. S (Elsevier, 2010-05)
Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory

Nayak, M. K; Chaudhuri, R. K (American Physical Society, 2011-02)
Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene

Mahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K (John Wiley & Sons, Inc, 2011-01)
Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion states

Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S (American Institute of Physics, 2011-08)
Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S− and 35,37Cl

Madhulita Das; Chaudhuri, R. K; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha (American Physical Society, 2011-10)

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