✦ LIBER ✦

Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures

✍ Scribed by Berger, R.; Klessinger, M.

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 174 KB
Volume: 18
Category: Article
ISSN: 0192-8651
DOI: 10.1002/(sici)1096-987x(19970730)18:10<1312::aid-jcc5>3.0.co;2-q

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✦ Synopsis

has been modified such as to generate simultaneously the internal energy levels in two different states. Such algorithms are necessary for a description of the temperature dependence of the rotovibronic fine structure of electronic transitions as well as the rotatory fine structure of vibrational spectra. The performance of two versions of the algorithms as well as extensions to restrict the generation scheme to selected modes are discussed.

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