Theoretical Studies of the Ground and Excited State Structures of Stilbene
Chaudhuri, Rajat K, Freed, Karl F, Chattopadhyay, Sudip, Mahapatra, Uttam Sinha
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.10.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.10.2013)
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Journal Article
Application of an efficient multireference approach to free-base porphin and metalloporphyrins: ground, excited, and positive ion states
Chaudhuri, Rajat K, Freed, Karl F, Chattopadhyay, Sudip, Mahapatra, Uttam Sinha
Published in The Journal of chemical physics (28.08.2011)
Published in The Journal of chemical physics (28.08.2011)
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Journal Article
Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States
Chattopadhyay, Sudip, Chaudhuri, Rajat K., Sinha Mahapatra, Uttam
Published in Chemphyschem (24.10.2011)
Published in Chemphyschem (24.10.2011)
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Journal Article
Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory
Chaudhuri, Rajat K, Freed, Karl F, Chattopadhyay, Sudip, Sinha Mahapatra, Uttam
Published in The Journal of chemical physics (14.04.2008)
Published in The Journal of chemical physics (14.04.2008)
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Journal Article
Description of the Methylene Amidogene Radical and Its Anion with an Economical Treatment of Correlation Effects Using Density Functional Theory Orbitals
Chaudhuri, Rajat K, Chattopadhyay, Sudip
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.01.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.01.2021)
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Journal Article
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method
Chaudhuri, Rajat K, Chattopadhyay, Sudip, Mahapatra, Uttam Sinha, Freed, Karl F
Published in The Journal of chemical physics (21.01.2010)
Published in The Journal of chemical physics (21.01.2010)
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Journal Article
Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory
Sinha Ray, Suvonil, Ghosh, Anirban, Chattopadhyay, Sudip, Chaudhuri, Rajat K
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2016)
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Journal Article
Relativistic unitary coupled cluster theory and applications
Sur, Chiranjib, Chaudhuri, Rajat K, Sahoo, Bijaya K, Das, B P, Mukherjee, D
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.03.2008)
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.03.2008)
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Journal Article
Communication: Viewing the ground and excited electronic structures of platinum and its ion through the window of relativistic coupled cluster method
Sinha Ray, Suvonil, Chaudhuri, Rajat K, Chattopadhyay, Sudip
Published in The Journal of chemical physics (07.01.2017)
Published in The Journal of chemical physics (07.01.2017)
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Journal Article
Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation
Ghosh, Anirban, Sinha Ray, Suvonil, Chaudhuri, Rajat K, Chattopadhyay, Sudip
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2017)
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Journal Article
Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure
Sinha Ray, Suvonil, Ghosh, Pradipta, Chaudhuri, Rajat K, Chattopadhyay, Sudip
Published in The Journal of chemical physics (14.02.2017)
Published in The Journal of chemical physics (14.02.2017)
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Journal Article
A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds
Sinha Ray, Suvonil, Ghosh, Anirban, Shit, Anindita, Chaudhuri, Rajat K, Chattopadhyay, Sudip
Published in Physical chemistry chemical physics : PCCP (23.08.2017)
Published in Physical chemistry chemical physics : PCCP (23.08.2017)
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Journal Article