Authors: Johannes Weber; Georg Hohlneicher

Source: Molecular Physics, Volume 101, Number 13, 10 July 2003 , pp. 2125-2144(20)

Publisher: Taylor and Francis Ltd

Abstract:

The method of Sharp and Rosenstock for the calculation of Franck-Condon factors (J. chem. Phys. 41, 3453 (1964)) is revised. A few errors in the original contribution and in several subsequent papers are corrected. Explicit formulae for 141 FC factors including overtones up to the 11th order and hot bands are derived with the aid of a computer algebra system (Mathematica). As an example for an application of the newly derived FC factors, the fluorescence spectrum of acetylene is calculated within the Herzberg-Teller formalism.

Document Type: Research article

DOI: http://dx.doi.org/10.1080/0026897031000109310

Publication date: 2003-07-10

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