1. IIA Institutional Repository

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Issue DateTitleAuthor(s)
1998-12Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian methodChaudhuri, R. K; Stevens, J. E; Freed, K. F
2005-01Electronic structure of the calcium monohydroxide radicalTaylor, C. M; Chaudhuri, R. K; Freed, K. F
2009-06Relativistic configuration-interaction study of the nuclear-spin-dependent parity-nonconserving electron-nucleus interaction constant W-A in BaFNayak, M. K; Das, B. P
2009-05Relativistic coupled-cluster studies of ionization potentials, lifetimes, and polarizabilities in singly ionized calciumSahoo, B. K; Das, B. P; Mukherjee, D
2008-12Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systemsChattopadhyay, S; Chaudhuri, R. K; Mahapatra, U. S
2005-04Comparison of low-order multireference many-body perturbation theoriesChaudhuri, 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
2005-05Theoretical study on the excited states of HCNNayak, M. K; Chaudhuri, R. K; Krishnamachari, S. N. L. G
2005-04Generation 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 methodChaudhuri, R. K; Freed, K. F
2010-01Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction methodChaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Freed, K. F

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