On the spectroscopic determination of potential functions with a barrier for diatomic molecules
Author:
- 10 October 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 65 (2) , 359-375
Abstract
The existence of a potential barrier at large internuclear distances leads to the appearance of predissociation in molecular spectra. The direct inversion of spectroscopic data (term energies and level widths) to the relevant potential function is performed for sample cases of TlF, InCl, AlBr and Na2. The approach with semiclassical formulae is compared with fully quantum mechanical calculations. The B 1Π u state of Na2 is a very good example for semiclassical behaviour whereas for C 1Π of InCl remarkable deviations are observed.Keywords
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