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Results 1-9 of 9 (Search time: 0.013 seconds).
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Issue Date
Title
Author(s)
1998-12
Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method
Chaudhuri, R. K
;
Stevens, J. E
;
Freed, K. F
2005-01
Electronic structure of the calcium monohydroxide radical
Taylor, C. M
;
Chaudhuri, R. K
;
Freed, K. F
2009-06
Relativistic configuration-interaction study of the nuclear-spin-dependent parity-nonconserving electron-nucleus interaction constant W-A in BaF
Nayak, M. K
;
Das, B. P
2009-05
Relativistic coupled-cluster studies of ionization potentials, lifetimes, and polarizabilities in singly ionized calcium
Sahoo, B. K
;
Das, B. P
;
Mukherjee, D
2008-12
Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems
Chattopadhyay, S
;
Chaudhuri, R. K
;
Mahapatra, U. S
2005-04
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
2005-05
Theoretical study on the excited states of HCN
Nayak, M. K
;
Chaudhuri, R. K
;
Krishnamachari, S. N. L. G
2005-04
Generation of potential energy curves for the X-1Sigma (+) g, B-1 Delta (+) (g), and B' (1) states of C-2 using the effective valence shell Hamiltonian method
Chaudhuri, R. K
;
Freed, K. F
2010-01
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
Discover
Author
7
Chaudhuri, R. K
5
Freed, K. F
3
Chattopadhyay, S
2
Das, B. P
2
Mahapatra, U. S
2
Mukherjee, D
2
Nayak, M. K
1
Hose, G
1
Kowalski, K
1
Krishnamachari, S. N. L. G
.
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Subject
6
Excited States
5
Perturbation Theory
4
Potential Energy Surfaces
3
Organic Compounds
2
Configuration Interactions
2
Coupled Cluster Calculations
2
HF Calculations
2
Orbital Calculations
2
Relativistic Corrections
2
Triplet State
.
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Date issued
8
2000 - 2010
1
1998 - 1999
Has File(s)
9
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