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Showing 6 out of a total of 6 results for community: IIAP Publications.
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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
(
American Institute of Physics
,
2008-07
)
Electronic structure of the calcium monohydroxide radical
Taylor, C. M
;
Chaudhuri, R. K
;
Freed, K. F
(
American Institute of Physics
,
2005-01
)
Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, U. S
(
American Institute of Physics
,
2008-12
)
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
(
American Institute of Physics
,
2008-08
)
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
(
American Institute of Physics
,
2005-04
)
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
)
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Author
Chaudhuri, R. K (6)
Chattopadhyay, S (4)
Freed, K. F (4)
Mahapatra, U. S (4)
Hammond, J. R (1)
Taylor, C. M (1)
Subject
Potential Energy Surfaces (6)
Perturbation Theory (5)
Excited States (4)
Ground States (4)
Organic Compounds (3)
Carbon (2)
Configuration Interactions (2)
HF Calculations (2)
Isomerisation (2)
Nitrogen (2)
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Date Issued
2008 (3)
2005 (2)
2010 (1)
Has File(s)
Yes (6)