CONFIGURATION INTERACTION STUDY OF THE LITHIUM HYDRIDE $MOLECULE^{*}$

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1960

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Ohio State University

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Abstract

Approximate wave functions for the ground state of the lithium hydride molecule have been constructed by the SCF-MO-CI approach using a basis in confocal elliptic coordinates. The energy and dipole moment are computed and the importance of various configurations studied. The results are discussed in terms of correlation energy.

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$^{*}$Supported by the United States Air Force OSR and the National Science Foundation.
Author Institution: Chemistry Department, Indiana University

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http://hdl.handle.net/1811/7923

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1960-1969