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Showing 10 out of a total of 33 results for community: IIAP Publications.
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State-specific complete active space multireference Møller–Plesset perturbation approach for multireference situations: illustrating the bond breaking in hydrogen halides
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
(
Springer
,
2012-04
)
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
)
Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye plasma environment
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
American Institute of Physics
,
2012-08
)
State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
(
John Wiley & Sons
,
2015-05-12
)
Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations
Chattopadhyay, S
;
Mahapatra, Uttam Sinha
;
Chaudhuri, R. K
(
Taylor & Francis
,
2014-10
)
Taming the Electronic Structure of Lead and Eka-lead (Flerovium) by the Relativistic Coupled Cluster Method
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
(
American Chemical Society
,
2013-09-12
)
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
)
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
)
Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degree
Ray, S. S
;
Manna, S
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
Taylor & Francis
,
2017-05-19
)
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Chattopadhyay, S (33)
Chaudhuri, R. K (33)
Mahapatra, U. S (19)
Freed, K. F (5)
Ghosh, A (4)
Sinha Ray, Suvonil (4)
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Chaudhuri, S. K (2)
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Multireference perturbation theory (5)
Spectroscopic constants (5)
Excited states (4)
Coupled cluster (3)
Improved virtual orbitals (3)
State-specific method (3)
Barrier height (2)
Basis sets (2)
Computational physics (2)
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