The computation of Franck-Condon factors, r-centroids and associated quantities in the electronic transitions of diatomic molecules

Details The computation of Franck-Condon factors, r-centroids and associated quantities in the electronic transitions of diatomic molecules The computation of Franck-Condon factors, r-centroids and associated quantities in the electronic transitions of diatomic molecules

Jan 1984

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1984a%26as...55...33s&link_type=abstract

Astronomy and Astrophysics Supplement Series (ISSN 0365-0138), vol. 55, Jan. 1984, p. 33-50. Research supported by the Centre Na

Astronomy and Astrophysics

Astrophysics

12

Centroids, Diatomic Molecules, Electron Transitions, Electronic Spectra, Franck-Condon Principle, Molecular Spectra, Approximation, Astronomical Spectroscopy, Klein-Dunham Potential, Spectral Bands

Scientific paper

A recursive analytic method based on the Morse potential function is adopted for numerical computation of Franck-Condon factors, r-centroids and higher order integrals of electronic band systems of diatomic molecules. Some band systems of several astrophysically important molecules are computed and compared to the results of calculations based on realistic Klein-Dunham potential functions. An important assumption of this analytic method is that the anharmonic constants for the two electronic states are the same; in practice this is a good approximation for many band systems, and for such systems examined here, the Franck-Condon factors and associated integrals are in good agreement, particularly for the strong bands. For cases where the anharmonic constants are substantially different, the agreement is much poorer, but at least general trends of band strengths with vibrational quantum numbers are predicted.

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