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Showing 10 out of a total of 33 results for community: IIAP Publications.
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Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory
Sinha Ray, Suvonil
;
Ghosh, A
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
American Chemical Society
,
2016-07-28
)
Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: application to the ground state single-bond dissociation
Ghosh, A
;
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
John Wiley & Sons
,
2015-10-05
)
Profiling the binding motif between Be and Mg in the ground state via a single-reference coupled cluster method
Mahapatra, U. S
;
Banerjee, Debi
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
Taylor & Francis
,
2015-06
)
A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds
Sinha Ray, Suvonil
;
Ghosh, A
;
Shit, Anindita
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
Royal Society of Chemistry Publishing
,
2017-09
)
Communication: Viewing The Ground And Excited Electronic Structures of Platinum And Its Ion Through The Window of Relativistic Coupled Cluster Method
Sinha Ray, Suvonil
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
American Institute of Physics
,
2017-07
)
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
)
Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure
Sinha Ray, S
;
Ghosh, P
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
American Institute of Physics
,
2017-02
)
Reappraisal of Nuclear Quadrupole Moments of Atomic Halogens via Relativistic Coupled Cluster Linear Response Theory for the Ionization Process
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
American Chemical Society
,
2013-11-27
)
Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces
Ghosh, A
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
American Institute of Physics
,
2016-09
)
A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene’s voids
Chaudhuri, S. K
;
Chaudhuri, R. K
;
Mukherjee, P. K
;
Chattopadhyay, S
(
American Institute of Physics
,
2017-08
)
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Chattopadhyay, S (33)
Chaudhuri, R. K (33)
Mahapatra, U. S (19)
Freed, K. F (5)
Ghosh, A (4)
Sinha Ray, Suvonil (4)
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Multireference perturbation theory (5)
Spectroscopic constants (5)
Excited states (4)
Coupled cluster (3)
Improved virtual orbitals (3)
State-specific method (3)
Barrier height (2)
Basis sets (2)
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