ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We develop a quantum method that provides relations between adjustable parameters of model potentials and empirical spectroscopic constants and that subsequently permits the calculation of those parameters. The method is based on the comparison of the quantum normal form, obtained using the Lie transform, with the experimental fits of spectra. The well established consensus on the representation and amount of experimental data of rotovibrational spectra of diatomic molecules, not existent in the case of polyatomic molecules, makes us to specifically address, in a first step, the issues concerning them. We test the accuracy of the method by calculating quantum corrections to previously computed adjustable parameters by a similar but semiclassical method.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.460099
Permalink