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Showing 10 out of a total of 35 results for community: IIAP Publications.
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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
)
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
)
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
)
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
)
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Author
Chaudhuri, R. K (35)
Mahapatra, U. S (35)
Chattopadhyay, S (26)
Das, B. P (9)
Mukherjee, D (9)
Merlitz, H (8)
Freed, K. F (5)
Gopakumar, G (5)
Majumder, S (3)
Sahoo, B. K (3)
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Subject
Perturbation Theory (5)
Organic Compounds (4)
Potential Energy Surfaces (4)
Electronic-Structure (3)
Ionization Potentials (3)
Multireference perturbation theory (3)
Nitrogen (3)
Spectroscopic constants (3)
Barrier height (2)
Brillouin-Wigner (2)
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Date Issued
2010 - 2017 (19)
2000 - 2009 (15)
1999 - 1999 (1)
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