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Browsing by Subject Excited States
Showing results 1 to 9 of 9
Issue Date | Title | Author(s) |
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 |
2000-06 | Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method | Chaudhuri, R. K; Majumder, S; Freed, K. F |
2005-01 | Electronic structure of the calcium monohydroxide radical | Taylor, C. M; Chaudhuri, R. K; Freed, K. F |
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 |
2005-04 | 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 |
2008-07 | Molecular applications of state-specific multireference perturbation theory to HF, H/sub2O, H/sub 2S, C/sub 2, and N/sub 2 molecules | Mahapatra, U. S; Chattopadhyay, S; Chaudhuri, R. K |
2009-05 | Relativistic coupled-cluster studies of ionization potentials, lifetimes, and polarizabilities in singly ionized calcium | Sahoo, B. K; Das, B. P; Mukherjee, D |
2005-05 | Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atoms | Chaudhuri, R. K; Freed, K. F |