Aspects of separability in the coupled cluster based direct methods for energy differences D Mukhopadhyay, S Mukhopadhyay, R Chaudhuri, D Mukherjee
Theoretica chimica acta 80, 441-467, 1991
132 1991 The construction of a size-extensive intermediate Hamiltonian in a coupled-cluster framework D Mukhopadhyay, B Datta, D Mukherjee
Chemical physics letters 197 (3), 236-242, 1992
108 1992 Size-extensive effective Hamiltonian formalisms using quasi-Hilbert and quasi-Fock space strategies with incomplete model spaces D Mukhopadhyay Jr, D Mukherjee
Chemical physics letters 163 (2-3), 171-177, 1989
85 1989 Applications of open-shell coupled cluster theory using an eigenvalue-independent partitioning technique: Approximate inclusion of triples in IP calculations R Chaudhuri, D Mukhopadhyay Jr, D Mukherjee
Chemical physics letters 162 (4-5), 393-398, 1989
82 1989 Molecular-exciton approach to spin-charge crossovers in dimerized Hubbard and excitonic chains D Mukhopadhyay, GW Hayden, ZG Soos
Physical Review B 51 (15), 9476, 1995
58 1995 Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3+ S Mukherjee, D Mukhopadhyay, S Adhikari
The Journal of Chemical Physics 141 (20), 2014
51 2014 Molecular applications of size-extensive quasi-Hilbert-and quasi-Fock-space coupled-cluster formalisms using incomplete model spaces D Mukhopadhyay Jr, D Mukherjee
Chemical physics letters 177 (4-5), 441-446, 1991
42 1991 Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and nuclear dynamics AK Paul, S Ray, D Mukhopadhyay, S Adhikari
The Journal of chemical physics 135 (3), 2011
37 2011 Renner–Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study A Das, D Mukhopadhyay, S Adhikari, M Baer
The Journal of chemical physics 133 (8), 2010
33 2010 Consistent propagator theory based on the extended coupled-cluster parametrization of the ground state B Datta, D Mukhopadhyay, D Mukherjee
Physical Review A 47 (5), 3632, 1993
33 1993 Handbook of conducting polymers ZG Soos, D Mukhopadhyay, A Painelli, A Girlando
Marcel Dekker: New York, 1998
26 1998 A comparative study of core-extensive and core—valence-extensive coupled-cluster theories for energy differences: Excitation energies SK Mukhopadhyay, R Chaudhuri, D Mukhopadhyay Jr, D Mukherjee
Chemical physics letters 173 (2-3), 181-186, 1990
23 1990 Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films D Mukhopadhyay, ZG Soos
The Journal of chemical physics 104 (4), 1600-1610, 1996
22 1996 Stark profiles of singlet excitons in conjugated polymers ZG Soos, D Mukhopadhyay, MH Hennessy
Chemical physics 210 (1-2), 249-257, 1996
21 1996 Vibronic analysis of overlapping resonances and the third‐harmonic‐generation spectrum of β‐carotene ZG Soos, D Mukhopadhyay
The Journal of chemical physics 101 (7), 5515-5522, 1994
20 1994 A new nonperturbative theory of core-hole ionizations: a compact cluster-expansion technique for treating relaxation effects D Mukhopadhyay Jr, R Chaudhuri, D Mukherjee
Chemical physics letters 172 (6), 515-521, 1990
17 1990 The adiabatic‐to‐diabatic transformation angle and the berry phase for coupled jahn–teller/renner–teller systems: The F+ H2 as a case study A Das, D Mukhopadhyay, S Adhikari, M Baer
International Journal of Quantum Chemistry 112 (13), 2561-2570, 2012
16 2012 Jahn–Teller Intersections Induced by Introduction of Bending in Linear Polyatomics: Study with HCNH, a Selected Molecular System A Das, D Mukhopadhyay
The Journal of Physical Chemistry A 116 (7), 1774-1785, 2012
16 2012 Dressed adiabatic and diabatic potentials to study conical intersections for F+ H2 A Das, T Sahoo, D Mukhopadhyay, S Adhikari, M Baer
The Journal of Chemical Physics 136 (5), 2012
15 2012 Conical intersections in 22E′ states of Na3 cluster AK Paul, S Ray, D Mukhopadhyay, S Adhikari
Chemical Physics Letters 508 (4-6), 300-305, 2011
15 2011