Optika Atmosfery i Okeana Journal

Vol. 3, issue 06, article # 8

Golovko V. F., Tyuterev Vl. G. Pade forms and molecular potential function. Representation based on the vibrational quantum numbers in diatomic molecules. // Atmospheric and oceanic optics. 1990. V. 3. No. 06. P. 562-567. PDF
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Abstract:

The relations between the Padw representations of the energies of the vibrational-rotational states of diatomic molecules on the one hand and the potential constants on the other are established. The advantage of this method for analyzing and extrapolating high excitation frequencies of vibrational-translational transitions over the traditional approach is demonstrated for the example of the molecule HBr. Its anharmonic constants are calculated by solving the inverse problem.

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