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Showing 8 out of a total of 8 results for community: IIAP Publications.
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Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory
Chaudhuri, R. K
;
Freed, K. F
;
Chattopadhyay, S
;
Sinha Mahapatra, U
(
American Institute of Physics
,
2008-04
)
Comparison of low-order multireference many-body perturbation theories
Chaudhuri, R. K
;
Freed, K. F
;
Hose, G
;
Piecuch, P
;
Kowalski, K
;
Wloch, M
;
Chattopadhyay, S
;
Mukherjee, D
;
Rolik, Z
;
Szabados, A
;
Tóth, G
;
Surján, P. R
(
American Institute of Physics
,
2005-04
)
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
)
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
)
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
)
Theoretical aids in screening candidates for atomic clocks: Illustration for Yb II
Chaudhuri, R. K
;
Freed, K. F
;
Chattopadhyay, S
;
Mahapatra, U. S
(
IOP Publishing
,
2012-04
)
Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion states
Chaudhuri, R. K
;
Freed, K. F
;
Chattopadhyay, S
;
Mahapatra, U. S
(
American Institute of Physics
,
2011-08
)
Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient Method
Chattopadhyay, S
;
Chaudhuri, R. K
;
Freed, K. F
(
American Chemical Society
,
2011-04
)
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Chattopadhyay, S (8)
Chaudhuri, R. K (8)
Freed, K. F (8)
Mahapatra, U. S (5)
Hammond, J. R (1)
Hose, G (1)
Kowalski, K (1)
Mukherjee, D (1)
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Rolik, Z (1)
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Organic Compounds (3)
Perturbation Theory (3)
Ground States (2)
HF Calculations (2)
Potential Energy Surfaces (2)
Beryllium (1)
Beryllium Compounds (1)
Carbon Compounds (1)
Configuration interactions (1)
Correlated wave-functions (1)
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2008 (2)
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2005 (1)
2010 (1)
2012 (1)
2013 (1)
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