THE STRUCTURE AND SPECTRA OF THE $^{2} \Sigma_{g}^{+}, ^{2}\Sigma_{u}{^{+}}, ^{2}\Pi_{u}$, AND $^{2}\Pi_{g}$ STATES OF $Li_{2}{^{+}}$
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Date
1978
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Potential curves for four low-lying states of $Li_{2}{^{+}}$ have been obtained from Hartree-Fock-Roothaan calculations using, the rich basis set on which our calculations for the neutral $molecule^{1}$ were based. Spectroscopic implications of the nature of the long-range portions of the curves will be explored. For example, the $A^{2} \Pi_{u}$ state of $Li_{2}{^{+}}$ has a long-range hump not unlike that deduced by Velasco, $et al^{2}$ in the $B^{1}\Pi_{u}$ state of $Li_{2}$. Its existence must be recognized in order to obtain reliable values of the dissociation energies of the A and X states.
Description
$^{1}D$. D. Konowalow and M. L. Olson, Paper RG2, 32nd Symposium on Molecular Spectroscopy, The Ohio State University (1977). $^{2}$ R. Velasco, Ch. Ottinger and R. N. Zare, J. Chem. Phys. 51, 5522 (1969).""
Author Institution: Department of Chemistry, State University of New York
Author Institution: Department of Chemistry, State University of New York