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Showing 5 out of a total of 5 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
)
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
)
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
)
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Author
Chattopadhyay, S (5)
Chaudhuri, R. K (5)
Mahapatra, U. S (5)
Freed, K. F (1)
Subject
Electronic-Structure (2)
Ab initio (1)
Analytic Energy Derivatives (1)
Brillouin-Wigner (1)
Brillouin-Wigner Scheme (1)
Configuration-Interaction (1)
Consistent Wave-Functions (1)
Coupled-Cluster Method (1)
Coupled-Cluster-Methods (1)
Density Functional Theory (1)
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Date Issued
2010 (5)
Has File(s)
Yes (5)