1. IIA Institutional Repository

Browsing by Subject Improved virtual orbitals

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Showing results 1 to 4 of 4
Issue DateTitleAuthor(s)
2017-11Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriersSinha Ray, Suvonil; Mahapatra, U. S; Chaudhuri, R. K; Chattopadhyay, S
2017-05-19Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degreeRay, S. S; Manna, S; Chaudhuri, R. K; Chattopadhyay, S
2019-02-15Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problemsRay, S. S; Manna, S; Ghosh, Anirban; Chaudhuri, R. K; Chattopadhyay, Sudip
2015-05-12State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2Chattopadhyay, S; Chaudhuri, R. K; Mahapatra, Uttam Sinha
Showing results 1 to 4 of 4