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Franck-Condon matrix elements for bound-continuum vibrational transitions calculated by numerical integration and basis set expansion techniques
Authors:Joachim Römelt  Ralf Runau
Affiliation:1. Lehrstuhl für Theoretische Chemie der Universit?t Bonn, Wegelerstra?e 12, D-5300, Bonn 1, Federal Republic of Germany
Abstract:Franck-Condon factor distributions for bound-to-continuum transitions of one-dimensional vibrational states are calculated by a) using numerical integration, b) employing a finite number of square integrable harmonic oscillator functions. The methods are generally applicable to any kind of bound or repulsive potential involved. Results are presented and compared to model potential calculations previously reported by Krüger [1].
Keywords:Franck  Condon factors  Bound-continuum vibrational transitions
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