Theoretical study with rovibrational and dipole moment calculation of the LaO molecule

M. Korek, Nayla El-Kork, A. N. Moussa, A. Bentiba

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

The potential energy curves of the molecule LaO have been calculated. Multireference CI calculations were performed. The harmonic frequency ωe, the internuclear distance re, the electronic energy with respect to the ground state Te and the permanent dipole moment have been calculated for 19 states where 13 states have been studied for the first time. By using the canonical functions approach, the eigenvalues Ev, the constant Bv and the abscissas of the turning points rmin and rmax have been calculated. The comparison of these values to the results available in the literature shows a very good agreement.

Original languageBritish English
Pages (from-to)115-121
Number of pages7
JournalChemical Physics Letters
Volume575
DOIs
StatePublished - 21 Jun 2013

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