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Issue Date
Title
Author(s)
2009-05-21
Investigation of low-lying states of oxygen molecule via second-order multireference perturbation theory: a state-specific approach
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
2010-03-18
Second-order state-specific multireference moller-plesset perturbation theory (SS-MRMPPT) applied to geometry optimization
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
2010-05
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
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Author
3
Chattopadhyay, S
3
Chaudhuri, R. K
3
Mahapatra, U. S
Subject
1
Ab initio
1
Analytic Energy Derivatives
1
Basis-Set; Body
1
Brillouin-Wigner
1
Configuration-Interaction
1
Consistent Wave-Functions
1
Coupled-Cluster Theory
1
Coupled-Cluster-Methods
1
Diradicals
1
Excited-States
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Date issued
2
2010
1
2009
Has File(s)
3
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