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Results 1-10 of 11 (Search time: 0.002 seconds).
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Issue DateTitleAuthor(s)
2011-10Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground StatesChattopadhyay, Sudip; Chaudhuri, R. K; Mahapatra, Uttam Sinha
2017-02-23Four-component relativistic state-specific multireference perturbation theory with a simplified treatment of static correlationGhosh, A; Sinha Ray, Suvonil; Chaudhuri, R. K; Chattopadhyay, Sudip
2014-12Revisiting the ‘cis-effect’ in 1,2-difluoro derivatives of ethylene and diazene using ab initio multireference methodsBanerjee, Debi; Ghosh, Anirban; Chattopadhyay, Sudip; Ghosh, Pradipta; Chaudhuri, R. K
2011-10Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S− and 35,37ClMadhulita Das; Chaudhuri, R. K; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha
2011-04Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approachChattopadhyay, Sudip; Chaudhuri, R. K; Freed, Karl F
2017-02-23Four-component relativistic state-specific multireference perturbation theory with a simplified treatment of static correlationGhosh, A; Sinha Ray, Suvonil; Chaudhuri, R. K; Chattopadhyay, Sudip
2019-02-15Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problemsRay, S. S; Manna, S; Ghosh, Anirban; Chaudhuri, R. K; Chattopadhyay, Sudip
2021-01-21Description of the methylene amidogene radical and its anion with an economical treatment of correlation effects using density functional theory orbitalsChaudhuri, R. K; Chattopadhyay, Sudip
2023-09Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic moleculesChaudhuri, R. K; Chattopadhyay, Sudip
2022-12Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basisChaudhuri, R. K; Chattopadhyay, Sudip