THE FOUR ELECTRON LiH PROBLEM.
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Date
1967
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The use of a single orbital exponent which is dependent upon internuclear distance (Musulin's Semi-Empirical Molecular Screening) is tested in a calculation whose test, molecule contains both inner and valence electrons. The empirical constants are determined under three different postulative systems and the results are compared to the two electron LiH problem. Another determination of the empirical constants is based upon the recent results obtained in an $He^{+}_{2}$ calculation. The majority of the calculations are concerned with total energy although some results have been obtained with dissociation energy, frequency of vibration, and other spectroscopic constants.
Description
Author Institution: Department of Chemistry, Southern Illinois University