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

被引:12
作者
Rey, M. [1 ]
Tyuterev, Vl. G. [1 ]
机构
[1] CNRS, UMR 6089, Grp Spectrometrie & Atmospher, F-51687 Reims 2, France
关键词
D O I
10.1039/b700044h
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:2538 / 2548
页数:11
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