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Showing 9 out of a total of 9 results for community: IIAP Publications.
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Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states
Madhulita Das
;
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
IOP Publishing
,
2011-03
)
Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory
Nayak, M. K
;
Chaudhuri, R. K
(
American Physical Society
,
2011-02
)
Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
John Wiley & Sons, Inc
,
2011-01
)
Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
(
John Wiley & Sons
,
2011-10
)
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
)
Application of relativistic coupled cluster linear response theory to helium-like ions embedded in plasma environment
Madhulita Das
;
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
;
Mukherjee, P. K
(
IOP Publishing
,
2011-08
)
Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S− and 35,37Cl
Madhulita Das
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
;
Mahapatra, Uttam Sinha
(
American Physical Society
,
2011-10
)
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
)
Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Freed, Karl F
(
Royal Society of Chemistry Publishing
,
2011-04
)
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Author
Chaudhuri, R. K (9)
Chattopadhyay, S (5)
Mahapatra, U. S (4)
Chattopadhyay, Sudip (3)
Madhulita Das (3)
Freed, K. F (2)
Mahapatra, Uttam Sinha (2)
Freed, Karl F (1)
Mukherjee, P. K (1)
Nayak, M. K (1)
Subject
Computational physics (2)
2nd Order Perterbation-Theory (1)
Ab initio calculations (1)
Atomic & molecular physics (1)
Atomic and molecular physics (1)
Barrier height (1)
Computational chemistry (1)
Configuration interactions (1)
Correlated wave-functions (1)
Correlation energies (1)
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Date Issued
2011 (9)
Has File(s)
Yes (9)