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Issue Date
Title
Author(s)
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
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
2020-06-28
Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals
Manna, S
;
Chaudhuri, R. K
;
Chattopadhyay, S
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Author
3
Chaudhuri, R. K
2
Chattopadhyay, S
2
Ray, S. S
1
Chattopadhyay, Sudip
1
Ghosh, Anirban
Subject
2
Improved virtual orbitals
2
Multireference perturbation theory
1
C2
1
Complete-active space self-consis...
1
Configuration interaction
1
Density functional theory
1
Electronic excitation
1
Energy gaps
1
Excitation energies
1
Ground-excited energy surfaces
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