Algebraic methods for molecular electronic spectra
β Scribed by A. Frank; F. Iachello; R. Lemus
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 355 KB
- Volume
- 131
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Algebraic techniques similar to those introduced recently to describe rotation-vibration spectra of molecules may be useful also in the treatment of electronic configurations. A general algebraic framework for this treatment is discussed and a simple example is worked out in detail.
π SIMILAR VOLUMES
A method for approximating the band shape of molecular electronic transitions based on a single geometric configuration is described. The band shape is modeled using an empirical parameter to estimate the width at half-height for each transition. In addition to generating a shape for allowed transit
A clsssical Iunit. which is amenable to a geometrical interpretation, is discussed for the vibron model of molecular vibrotational spectrs. Both diatornic and triatomic molecules are considered. An e~mple of a coupling between the two stretching modes of a linwr triatomic is examined in detail.
In the beginning of the modern quantum theory of atomic and molecular spectra, the semi-empirical methods were exceedingly successful in explaining the structure of the spectra and their general properties, and it was hence somewhat of a surprise that, when the fundamental semi-empirical parameters