THE POTENTIAL ENERGY CURVES FOR THE $B^{1}\Sigma^{+}_{u}$ AND $C^{1}\Pi_{u}$ STATES OF $H_{2}$: A COMPARISON OF SPECTROSCOPIC AND AB INITIO RESULTS

Stwalley, W. C.; Zemke, W. T.

THE POTENTIAL ENERGY CURVES FOR THE $B^{1}\Sigma^{+}_{u}$ AND $C^{1}\Pi_{u}$ STATES OF $H_{2}$: A COMPARISON OF SPECTROSCOPIC AND AB INITIO RESULTS

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Date

1974

Authors

Stwalley, W. C.

Zemke, W. T.

Publisher

Ohio State University

Abstract

$T h e H 2$ molecule (and Its isotopic variants) is unique in that abundant spectroscopic data and ab initio calculations are each available with accuracies of the order of $1 c m −1$ . States of prime interest for comparison are the B and C states, the upper states of the Lyman and Werner bands, respectively. A preliminary comparison for the B state was recently published $1$ , but in particular improved ab initio results have been obtained $2$ ; a similar study of the C state will be reported.

Description

Acknowledgement is made to the Donors of the Petroleum Research Fund, administered by The American Chemical Society, for support of this work. William C. Stwalley is an Alfred P. Sloan Foundation Fellow. $1$ w. C. Stwalley, J. Chem, Phys., 58, 536 (1973). $2$ W. Kolos, Private communication.

Author Institution: Department of Chemistry, University of Iowa; Department of Chemistry, Wartburg College Waverly

URI

http://hdl.handle.net/1811/16289

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979

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