Model Potential Calculations for the Ground and Various Excited States of LiNa+

A theoretical investigation of the electronic structure of the molecular ion LiNa+ (adiabatic potential energy curves, rovibrational energies, spectroscopic constants and dipole moments) has been performed in the framework of a model potential method. Such information, not yet available to the best...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2001-01, Vol.105 (1), p.165-168
Main Authors: Magnier, S, Aubert-Frécon, M
Format: Article
Language:English
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Summary:A theoretical investigation of the electronic structure of the molecular ion LiNa+ (adiabatic potential energy curves, rovibrational energies, spectroscopic constants and dipole moments) has been performed in the framework of a model potential method. Such information, not yet available to the best of our knowledge except for the ground state, constitutes the input data for simulations of above threshold dissociation of LiNa+. Although most of the energy curves are found to be dissociative, some present potential wells located at intermediate internuclear distances. A long-range extrapolation is proposed for the lowest states.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp0020182