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Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
(
John Wiley & Sons
,
2011-10
)
State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
(
John Wiley & Sons
,
2015-05-12
)
Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations
Chattopadhyay, S
;
Mahapatra, Uttam Sinha
;
Chaudhuri, R. K
(
Taylor & Francis
,
2014-10
)
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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Author
Chaudhuri, R. K (4)
Mahapatra, Uttam Sinha (4)
Chattopadhyay, S (2)
Chattopadhyay, Sudip (2)
Madhulita Das (1)
Subject
Ab initio calculations (1)
Computational chemistry (1)
Correlation energies (1)
Coupled cluster (1)
Electric Quadrupole Hyperfine Structure (1)
Electronic structures (1)
Energy surface (1)
F2, Be2, and N2 (1)
Halogen molecules (1)
Hyperfine Structure (1)
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Date Issued
2011 (2)
2014 (1)
2015 (1)
Has File(s)
Yes (4)