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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
)
Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degree
Ray, S. S
;
Manna, S
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
Taylor & Francis
,
2017-05-19
)
Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers
Sinha Ray, Suvonil
;
Mahapatra, U. S
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
Elsevier B.V
,
2017-11
)
Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problems
Ray, S. S
;
Manna, S
;
Ghosh, Anirban
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
(
WILEY-VCH Verlag GmbH & Co.
,
2019-02-15
)
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Author
Chaudhuri, R. K (4)
Chattopadhyay, S (3)
Manna, S (2)
Ray, S. S (2)
Chattopadhyay, Sudip (1)
Ghosh, Anirban (1)
Mahapatra, U. S (1)
Mahapatra, Uttam Sinha (1)
Sinha Ray, Suvonil (1)
Subject
Improved virtual orbitals (4)
Multireference perturbation theory (4)
State-specific method (3)
Barrier height (1)
C2 (1)
Energy gaps (1)
F2, Be2, and N2 (1)
Ground-excited energy surfaces (1)
Potential energy surfaces (1)
Radicals (1)
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Date Issued
2017 (2)
2015 (1)
2019 (1)
Has File(s)
Yes (4)