Adiabatic and non-adiabatic corrections to rovibrational energies of diatomic molecules: variational calculations with experimental accuracy

Literature Information

Publication Date 2007-04-03
DOI 10.1039/B700044H
Impact Factor 3.676
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Abstract

Using the variational technique, eigensolutions of the radial Herman-Asgharian equation accounting for non-adiabatic terms are determined within the experimental accuracy of the high-resolution spectroscopy. This method, which is independent of the algebraic and numerical approaches currently used in the literature for a “direct-potential-fit” of diatomic rovibrational spectra, is shown to be useful for validation of available calculations and for resolving some controversial issues. Comparative discussions are reported in this paper for a dozen diatomic molecules.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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