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Showing 10 out of a total of 19 results for community: IIAP Publications.
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Study of equilibrium geometries of diradicaloid systems via state specific multireference Moller-Plesset perturbation theory (SS-MRMPPT)
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
(
Elsevier
,
2010-03
)
Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states
Madhulita Das
;
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
IOP Publishing
,
2011-03
)
Theoretical Studies of the Ground and Excited State Structures of Stilbene
Chaudhuri, R. K
;
Freed, K. F
;
Chattopadhyay, S
;
Mahapatra, U. S
(
American Chemical Society
,
2013-10-03
)
Study of the ground state dissociation of diatomic molecular systems using state-specific multireference perturbation theory: a Brillouin-Wigner scheme
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
American Chemical Society
,
2010-03
)
Second-order state-specific multireference moller-plesset perturbation theory (SS-MRMPPT) applied to geometry optimization
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
American Chemical Society
,
2010-03-18
)
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
;
Freed, K. F
(
American Institute of Physics
,
2010-01
)
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
(
John Wiley & Sons, Inc
,
2011-01
)
Studies on m-benzyne and phenol via improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, U. S
(
Elsevier
,
2010-05
)
State specific multireference moller–plesset perturbation theory: a few applications to ground, excited and ionized states
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
(
Elsevier
,
2012-06-05
)
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
(
Springer
,
2012-04
)
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Author
Chattopadhyay, S (19)
Chaudhuri, R. K (19)
Mahapatra, U. S (19)
Freed, K. F (4)
Madhulita Das (2)
Banerjee, Debi (1)
Ghosh, A (1)
Mukherjee, P. K (1)
Sinha Ray, Suvonil (1)
Subject
Multireference perturbation theory (3)
Spectroscopic constants (3)
Barrier height (2)
Computational physics (2)
Electronic-Structure (2)
Excited states (2)
Spectroscopic parameters (2)
Ab initio (1)
Alkali dimers (1)
Analytic Energy Derivatives (1)
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Date Issued
2010 (5)
2011 (4)
2012 (4)
2013 (3)
2015 (2)
2017 (1)
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