论文信息 - Testing of Diatomic Potential‐Energy Functions by Numerical Methods

Testing of Diatomic Potential‐Energy Functions by Numerical Methods

An accurate and efficient numerical method of solving the radial Schrodinger equation for a diatomic molecule has been employed in two tests relating to approximate potential functions. First, quantitative estimates have been made of the errors in the approximate eigenvalue equation derived by Pekeris for the rotating Morse oscillator. Secondly, as an example of testing a potential function for which no analytic solution is known, the eigenvalues of the Clinton potential have been compared with those of the Morse and with experiment.

J. K. Cashion | J. Cashion

[1] P. Morse. Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels , 1929 .

[2] J. L. Dunham. The Wentzel-Brillouin-Kramers Method of Solving the Wave Equation , 1932 .

[3] T. A. Wiggins,et al. Rotational and Vibrational Constants of the HCl 35 and DCl 35 Molecules , 1962 .

[4] D. Ter Haar,et al. The Vibrational Levels of an Anharmonic Oscillator , 1946 .

[5] C. Pekeris,et al. The Rotation-Vibration Coupling in Diatomic Molecules , 1934 .

[6] G. Herzberg,et al. Spectra of diatomic molecules , 1950 .

[7] W. L. Clinton. New Potential Energy Function. I. Empirical , 1962 .

[8] W. R. Jarmain. KLEIN–DUNHAM POTENTIAL ENERGY FUNCTIONS IN SIMPLIFIED ANALYTICAL FORM , 1960 .

[9] Y. P. Varshni. Comparative Study of Potential Energy Functions for Diatomic Molecules , 1957 .