THE $A^{1} \Sigma^{+}_{u} \leftarrow X^{1} \Sigma_{g}$ SPECTRUM OF $Li_{2}$ REVISITED

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Title: THE $A^{1} \Sigma^{+}_{u} \leftarrow X^{1} \Sigma_{g}$ SPECTRUM OF $Li_{2}$ REVISITED
Creators: Konowalow, Daniel D.; Olson, Mark L.
Issue Date: 1977
Publisher: Ohio State University
Abstract: Our previous theoretical calculation of the A $\leftarrow$ X $Spectrum^{1}$ is reexamined in light of the new analysis of the spectrum by Kusch and Hessel (KH)$^{2}$. We corroborate the KH assignment of Dunham constants $Y_{i, 0}$ for the A state by comparison with vibrational energy eigenvalues based on our accurate multiconfiguration self-consistent field (MCSCF) calculations. The MCSCF potential suggests that dissociation of $A^{1}\Sigma_{u}^{+}$ occurs at $v^{\prime} \cong 103$ at an energy $D_{e} = 9299$ $cm^{-1}$. A semiempirical scaling of this result gives our best estimate of $D_{e} = 9400$ $cm^{-1}$. A wager offered last year regarding the A state potential will be repeated and an even more generous one will be offered this year.
Description: $^{1}$D. D. Konowalow and M. L. Olson, Paper MN6, 31st Symposium on Molecular Spectroscopy, The Ohio State University (1976). $^{2}$ P. Kusch and M. M. Hessel, (to be published).
Author Institution: Department of Chemistry, State University of New York
Other Identifiers: 1977-RG-2
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