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Showing 10 out of a total of 127 results for community: IIAP Publications.
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Study of the ground state dissociation of diatomic molecular systems using state-specific multireference perturbation theory: a Brillouin-Wigner scheme
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
American Chemical Society
,
2010-03
)
Second-order state-specific multireference moller-plesset perturbation theory (SS-MRMPPT) applied to geometry optimization
Mahapatra, U. S
;
Chattopadhyay, S
;
Chaudhuri, R. K
(
American Chemical Society
,
2010-03-18
)
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
)
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
)
Studies on m-benzyne and phenol via improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, U. S
(
Elsevier
,
2010-05
)
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
)
Random phase approximation for allowed and parity non-conserving electric dipole transition amplitudes and its connection with many-body perturbation theory and coupled-cluster theory
Gopakumar, G
;
Sur, C
;
Das, B. P
;
Chaudhuri, R. K
;
Mukherjee, D
;
Hirao, K
(
World Scientific Publishing Co
,
2006
)
State specific multireference moller–plesset perturbation theory: a few applications to ground, excited and ionized states
Chattopadhyay, S
;
Mahapatra, U. S
;
Chaudhuri, R. K
(
Elsevier
,
2012-06-05
)
Application of relativistic Fock-space coupled-cluster theory to study Li and Li-like ions in plasma
Madhulita, Das
;
Das, M
;
Chaudhuri, R. K
;
Chattopadhyay, S
(
American Physical Society
,
2012-04
)
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
)
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Author
Chaudhuri, R. K (127)
Chattopadhyay, S (43)
Das, B. P (36)
Mukherjee, D (35)
Mahapatra, U. S (34)
Sahoo, B. K (31)
Freed, K. F (17)
Majumder, S (13)
Sur, C (13)
Chattopadhyay, Sudip (11)
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Atomic Physics (11)
Perturbation Theory (8)
Excited States (7)
Excited states (6)
Ground States (6)
Multireference perturbation theory (6)
Organic Compounds (6)
Potential Energy Surfaces (6)
Relativistic Coupled-Cluster Theory (5)
Spectroscopic constants (5)
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Date Issued
2020 - 2023 (6)
2010 - 2019 (42)
2000 - 2009 (79)
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