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Issue Date
Title
Author(s)
2015-05-12
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
2017-05-19
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
2017-11
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
2019-02-15
Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problems
Ray, S. S
;
Manna, S
;
Ghosh, Anirban
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
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Author
4
Chaudhuri, R. K
3
Chattopadhyay, S
2
Manna, S
2
Ray, S. S
1
Chattopadhyay, Sudip
1
Ghosh, Anirban
1
Mahapatra, U. S
1
Mahapatra, Uttam Sinha
1
Sinha Ray, Suvonil
Subject
4
Multireference perturbation theory
3
State-specific method
1
Barrier height
1
C2
1
Energy gaps
1
F2, Be2, and N2
1
Ground-excited energy surfaces
1
Potential energy surfaces
1
Radicals
1
Spectroscopic
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