A MODEL CALCULATION ON THE AVOIDED-CROSSING PROBLEM FOR DIATOMIC MOLECULE BOUND STATES
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Date
1973
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Publisher
Ohio State University
Abstract
A numerical method due to $Gordon^{1}$ is applied to a model representing the avoided crossing for bound electronic states of a diatomic molecule. This approach is taken within the framework of the formalism developed by Lewis and $Hougen^{2}$ for application to the data for NO. The results obtained by using a linear reference potential are moderately accurate but indicate that a higher-order approximation to the true potential must be used to reduce the required accuracy on the wavefunctions.
Description
This work was supported by the Robert A. Welch Foundation, Grant B-516. $^{1}$ R. G. Gordon, J. Chem. Phys. 51, 14 (1969).$^{2}$ J. K. Lewis and J. T. Hougen, J. Chem. Phys. 48, 5329 (1968).
Author Institution: Department of Physics, North Texas State University
Author Institution: Department of Physics, North Texas State University