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Chattopadhyay, Sudip, Mitra, Asish, Sinha, Dhiman (2006) Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy. The Journal of Chemical Physics, 125 (24). 244111pp. doi:10.1063/1.2403858

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Reference TypeJournal (article/letter/editorial)
TitleExplicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy
JournalThe Journal of Chemical Physics
AuthorsChattopadhyay, SudipAuthor
Mitra, AsishAuthor
Sinha, DhimanAuthor
Year2006 (December 28)Volume125
Issue24
PublisherAIP Publishing
DOIdoi:10.1063/1.2403858Search in ResearchGate
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Mindat Ref. ID2308342Long-form Identifiermindat:1:5:2308342:2
GUID0
Full ReferenceChattopadhyay, Sudip, Mitra, Asish, Sinha, Dhiman (2006) Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy. The Journal of Chemical Physics, 125 (24). 244111pp. doi:10.1063/1.2403858
Plain TextChattopadhyay, Sudip, Mitra, Asish, Sinha, Dhiman (2006) Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy. The Journal of Chemical Physics, 125 (24). 244111pp. doi:10.1063/1.2403858
In(2006, December) The Journal of Chemical Physics Vol. 125 (24) AIP Publishing

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Chattopadhyay, Sudip, Mitra, Ashis, Jana, Debasis, Ghosh, Pradipta, Sinha, Dhiman (2002) Full effect of triples in a valence universal multi-reference coupled cluster calculation. Chemical Physics Letters, 361. 298-306 doi:10.1016/s0009-2614(02)00974-0
Mahapatra, Uttam Sinha, Chattopadhyay, Sudip (2010) Potential energy surface studies via a single root multireference coupled cluster theory. The Journal of Chemical Physics, 133 (7). 74102pp. doi:10.1063/1.3467899
Chattopadhyay, Sudip, Mahapatra, Uttam Sinha, Mukherjee, Debashis (2000) Development of a linear response theory based on a state-specific multireference coupled cluster formalism. The Journal of Chemical Physics, 112 (18). 7939-7952 doi:10.1063/1.481395
Chattopadhyay, Sudip, Mahapatra, Uttam Sinha, Mukherjee, Debashis (1999) Property calculations using perturbed orbitals via state-specific multireference coupled-cluster and perturbation theories. The Journal of Chemical Physics, 111 (9). 3820-3831 doi:10.1063/1.479685
Mahapatra, Uttam Sinha, Chattopadhyay, Sudip (2011) Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization. The Journal of Chemical Physics, 134 (4). 44113pp. doi:10.1063/1.3523573
Ghosh, Anirban, Chaudhuri, Rajat K., Chattopadhyay, Sudip (2016) Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces. The Journal of Chemical Physics, 145 (12). 124303pp. doi:10.1063/1.4962911
Nayak, Malaya K., Chaudhuri, Rajat K., Chattopadhyay, Sudip, Mahapatra, Uttam Sinha (2006) Applications of core-valence extensive multi-reference coupled cluster theory and core-extensive coupled cluster-based linear response theory. Journal of Molecular Structure: THEOCHEM, 768. 133-140 doi:10.1016/j.theochem.2006.05.015
Mahapatra, Uttam Sinha, Chattopadhyay, Sudip, Chaudhuri, Rajat K. (2009) Application of state-specific multireference Møller–Plesset perturbation theory to nonsinglet states. The Journal of Chemical Physics, 130 (1). 14101pp. doi:10.1063/1.3043364
Bera, Nabakumar, Ghosh, Subhasree, Mukherjee, Debashis, Chattopadhyay, Sudip (2005) Reappraisal of the Role of Size-Extensive Normalization for Multireference Coupled Cluster (MRCC) Theory Using General Model Space:  A Valence Universal MRCC Approach†. The Journal of Physical Chemistry A, 109 (50). 11462-11469 doi:10.1021/jp053633e
Chattopadhyay, Sudip, Mahapatra, Uttam Sinha, Chaudhuri, Rajat K. (2014) Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations. Molecular Physics, 112. 2720-2736 doi:10.1080/00268976.2014.906675
Sharma, Amitava, Chattopadhyay, Sudip, Adhikari, Kalipada, Sinha, Dhiman (2015) Spectroscopic constants relating to ionization from the strongest bonding and inner valence molecular orbital 2σg of N2: An EIP-VUMRCC search. Chemical Physics Letters, 634. 88-94 doi:10.1016/j.cplett.2015.05.032
 
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