Adiabatic and non-adiabatic corrections to rovibrational energies of diatomic molecules: variational calculations with experimental accuracy.
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.
Rey
M
M
Groupe de Spectrométrie Moléculaire et Atmosphérique, CNRS UMR 6089, BP 1039, F-51687 Reims Cedex 2, France. michael.rey@univ-reims.fr
Tyuterev
Vl G
VG
D002248:Carbon Monoxide / Q000737:chemistry*; D007700:Kinetics; D008433:Mathematics; D008962:Models, Theoretical; D015203:Reproducibility of Results; D013816:Thermodynamics; D014732:Vibration
D002248:Carbon Monoxide