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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
)
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Author
Chattopadhyay, S (2)
Chaudhuri, R. K (2)
Mahapatra, U. S (1)
Manna, S (1)
Ray, S. S (1)
Sinha Ray, Suvonil (1)
Subject
Improved virtual orbitals (2)
Multireference perturbation theory (2)
State-specific method (2)
Barrier height (1)
C2 (1)
Ground-excited energy surfaces (1)
Spectroscopic constants (1)
Torsional/Inversion surfaces (1)
... View More
Date Issued
2017 (2)
Has File(s)
Yes (2)