Franck-Condon matrix elements for bound-continuum vibrational transitions calculated by numerical integration and basis set expansion techniques |
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Authors: | Joachim Römelt Ralf Runau |
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Affiliation: | 1. Lehrstuhl für Theoretische Chemie der Universit?t Bonn, Wegelerstra?e 12, D-5300, Bonn 1, Federal Republic of Germany
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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]. |
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Keywords: | Franck Condon factors Bound-continuum vibrational transitions |
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