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Results 1-10 of 12 (Search time: 0.004 seconds).
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Issue DateTitleAuthor(s)
Aug-2006Ab initio description of the ground and excited states of cyanogen isomersChaudhuri, R. K; Krishnamachari, S. L. N. G; Freed, K. F
Mar-2007Geometry optimization using improved virtual orbitals: A complete active space numerical gradient approachChaudhuri, R. K; Freed, K. F
Apr-2008Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theoryChaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Sinha Mahapatra, U
Apr-2005Comparison 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
May-2005Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atomsChaudhuri, R. K; Freed, K. F
Apr-2005Generation 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
Aug-2008Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approachChaudhuri, R. K; Hammond, J. R; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
Jan-2005Electronic structure of the calcium monohydroxide radicalTaylor, C. M; Chaudhuri, R. K; Freed, K. F
Oct-2005Quadratic Padé approximants and the intruder state problem of multireference perturbation methodsPerrine, T. M; Chaudhuri, R. K; Freed, K. F
22-Sep-2003A critical analysis of the ground and excited electronic states of transition metal nitrides using the relativistic effective Hamiltonian methodChaudhuri, R. K; Freed, K. F