THE STRUCTURE AND SPECTRA OF THE $^{2} \Sigma_{g}^{+}, ^{2}\Sigma_{u}{^{+}}, ^{2}\Pi_{u}$, AND $^{2}\Pi_{g}$ STATES OF $Li_{2}{^{+}}$

Konowalow, Daniel D.; Rosenkrantz, Marcy E.; Olson, Mark L.

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

Authors

Konowalow, Daniel D.

Rosenkrantz, Marcy E.

Olson, Mark L.

Publisher

Ohio State University

Abstract

Potential curves for four low-lying states of $L i 2 +$ have been obtained from Hartree-Fock-Roothaan calculations using, the rich basis set on which our calculations for the neutral $m o l e c u l e 1$ were based. Spectroscopic implications of the nature of the long-range portions of the curves will be explored. For example, the $A 2 Π u$ state of $L i 2 +$ has a long-range hump not unlike that deduced by Velasco, $e t a l 2$ in the $B 1 Π u$ state of $L i 2$ . 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

URI

http://hdl.handle.net/1811/10592

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979

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