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Issue Date
Title
Author(s)
2008-07
Molecular applications of state-specific multireference perturbation theory to HF, H/sub2O, H/sub 2S, C/sub 2, and N/sub 2 molecules
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
2005-01
Electronic structure of the calcium monohydroxide radical
Taylor, C. M
;
Chaudhuri, R. K
;
Freed, K. F
2008-12
Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, U. S
2008-08
Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach
Chaudhuri, R. K
;
Hammond, J. R
;
Freed, K. F
;
Chattopadhyay, S
;
Mahapatra, U. S
2005-04
Generation of potential energy curves for the X-1Sigma (+) g, B-1 Delta (+) (g), and B' (1) states of C-2 using the effective valence shell Hamiltonian method
Chaudhuri, R. K
;
Freed, K. F
2010-01
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
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Author
6
Chaudhuri, R. K
4
Chattopadhyay, S
4
Freed, K. F
4
Mahapatra, U. S
1
Hammond, J. R
1
Taylor, C. M
Subject
5
Perturbation Theory
4
Excited States
4
Ground States
3
Organic Compounds
2
Carbon
2
Configuration Interactions
2
HF Calculations
2
Isomerisation
2
Nitrogen
1
Bond Lengths
.
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Date issued
3
2008
2
2005
1
2010
Has File(s)
6
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