VIBRATIONAL ANALYSIS OF THE HEITLER-LONDON POTENTIAL OF $H_{2}^{\ast}$
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Date
1962
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Ohio State University
Abstract
The vibrational levels associated with the Heitler-London $potential^{1}$ of $H_{2}$ have been found through use of the WBK approximation. The $\Delta G$ (first vibrational energy difference) vs. v (vibrational quantum number) curve has negative curvature at all v. At high v the vibrational levels possess the rapid convergence characteristic of covalent molecules. The Heitler-London $\Delta G$ curve has very nearly the same shape as the empirical curve for $H_{2}$: horizontally displayed to agree with experiment at low v, the Heitler-London $\Delta G$ curve predicts a dissociation energy which is 93\% of the experimental value. The rate of convergence of the experimental, Heitler-London, and $Weinbaum^{2}$ vibrational levels will be discussed.
Description
$^{\ast}$Supported by the United States Air Force Office of Scientific Research. $^{1}$ W. Heitler and F. London, Z. Physik 44, 455 (1927). $^{2}$ S. Weinbaum, J. Chem. Phys. 1, 593 (1933).
Author Institution: Department of Physics, Georgetown University
Author Institution: Department of Physics, Georgetown University