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Results 1-6 of 6 (Search time: 0.005 seconds).
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Issue Date
Title
Author(s)
2011-01
Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
2012-04
State-specific complete active space multireference Møller–Plesset perturbation approach for multireference situations: illustrating the bond breaking in hydrogen halides
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
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
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Chaudhuri, R. K
5
Chattopadhyay, S
3
Mahapatra, U. S
2
Manna, S
2
Ray, S. S
1
Chattopadhyay, Sudip
1
Ghosh, Anirban
1
Mahapatra, Uttam Sinha
1
Sinha Ray, Suvonil
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4
Improved virtual orbitals
3
State-specific method
2
Barrier height
2
Potential energy surfaces
2
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1
C2
1
Electron correlation
1
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