CALCULATION OF THE ROTATIONAL LEVEL DEPENDENCE OF ELECTRONIC TRANSITION PROBABILITIES IN OH
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Date
1979
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Ohio State University
Abstract
Transition probabilities have been calculated as a function of vibrational and rotational level for the $A_{2}\Sigma^{+} - X^{2}\Pi j$ system of the hydroxyl molecule. The wavefunctions are obtained from RKR calculations using a program furnished to us by R-N- Zare. At low internuclear distance r, the electronic transition moment $R_{e}$(r) has been previously $shown^{1}$ to have a linear form. To this is added a hyperbolic tail at large r, patterned after \emph{ab initio} $calculations^{2}$ on these electronic stales. The two needed parameters are obtained by comparison with previously determined experimental $data^{1}$. 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 $Learner^{3}$, based on an exponential form of the transition moment, are accurate to within about 10% over the range N = 0 to 20 within a given band, but are not correct from band to band.
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$^{1}$ D. R. Crosley and R. K. Lengel, J. Quant. Spect. Rad. Transf. 15, 579 (1975); 17, 59(1977). $^{2}$ W. H. Henneker and H. E. Popkie, J. Chem. Phys. 54, 1763 (1971). $^{3}$ J. Anketell and R. C. M. Learner, Proc Roy Soc A301, 355 (1967).
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