Mathematics – Probability
Scientific paper
Feb 1980
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1980jqsrt..23..187c&link_type=abstract
Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 23, Feb. 1980, p. 187-199.
Mathematics
Probability
114
Hydroxyl Radicals, Molecular Rotation, Transition Probabilities, Vibrational Spectra, Fluorescence, Laser Spectroscopy, Molecular Excitation, Molecular Oscillations, Spectral Bands, Tables (Data), Wave Functions
Scientific paper
Transition probabilities have been calculated as a function of vibrational and rotational level for the A2Sigma(+)-X2Pi(sub i) system of the hydroxyl molecule. The wavefunctions are obtained from RKR calculations. The electronic transition moment is constructed by adding a small hyperbolic tail at large internuclear distance r (taken from an ab initio calculation) to a linear form at small r; this linear form was validated in earlier studies by laser-excited fluorescence measurements, calculations, and an examination of literature data. The results show, as anticipated, a variation in transition probability with rotational quantum number J, the degree of which varies with vibrational band. The widely used results of Anketell and Learner, based on an inferior form of the transition moment, are accurate to within about 10% for the range J = 0-20 within a given vibrational band, although not from band to band.
Chidsey I. L.
Crosley David R.
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