Affiliation:
1. Faculty of Science, Beirut Arab University, P.O.Box 11-5020 Riad El Solh, Beirut 1107 2809, Lebanon.
Abstract
The potential energy curves of the low-lying doublet electronic states in the representation 2s+1Λ(+/−) of the SrF molecule have been investigated by using the complete active space self-consistent field with multireference configuration interaction and multireference Rayleigh–Schrödinger perturbation theory methods. The harmonic frequency, ωe; the internuclear distance, Re; the dipole moment; and the electronic energy with respect to the ground state, Te, have been calculated for the considered electronic states. The eigenvalues, Ev; the rotational constants, Bv; and the abscissas of the turning points, Rmin and Rmax, have been investigated using the canonical functions approach. The comparison between the values of the present work and those available in the literature for several electronic states shows very good agreement. Nine new electronic states have been investigated here for the first time.
Publisher
Canadian Science Publishing
Subject
General Physics and Astronomy
Cited by
12 articles.
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