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r-Centroids: Average Internuclear Separations Associated with Molecular Bands
The r-centroid rν'ν'' of a molecular band is defined by ∫ Ψν'rΨν''dr/∫ Ψν'Ψν''dr and is an average internuclear separation which may be associated with the ν' → ν'' transition. Ψν' and Ψν'' areExpand
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Realistic Franck-Condon factors and related integrals for diatomic molecules—I. Method
Abstract In this the first of a series of papers, a detailed description is given of the methods currently being used by the author for production of Franck-Condon factors, densities and r-centroidsExpand
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A theoretical study of the v" = 0, 1, 2 progressions of bands and adjoining photodissociation continua of the O2 Herzberg I system
Franck-Condon factors for v" = 0, 1, 2 and v' ≤ 11 in the O2 Herzberg I system have been calculated for realistic Klein-Dunham potentials and accurate wave functions. Corresponding Franck-CondonExpand
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Vibrational Transition Probabilities of Diatomic Molecules: I
An approximation is made which allows analytic integration of the `overlap', and other, integrals of vibrational wave functions in Morse potentials that arise in the study of the electronic spectraExpand
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Transition probability parameters of molecular spectra arising from combustion processes
Abstract The dependence of intensity distributions in molecular spectra upon ( a ) source conditions and (b) molecular constants (particularly transition probabilities) is discussed briefly.Expand
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Franck-Condon densities qν,vn = [vertical line][integral operator]ψν(r)ψvn(r) dr[vertical line]2 for vn = 0 in the O2 Schumann-Runge photodissociation continuum have been calculated for realisticExpand
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