QUANTITATIVE ANALYSIS OF NON-ADIABATIC PREDISSOCIATION OF $Li_{2}(F\ ^{1}\Sigma_{g}^{+})$
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Date
2000
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Extensive recent $measurements^{a}$ of the widths of predissociating levels of the $F(4)^{1}\Sigma^{+}_{g}$ state of $Li_{2}$ are analysed within an adiabatic description of the interstate mixing of the F(4) and E(3) $^{1}\Sigma^{+}_{g}$ states. The coupling operator driving the predissociation is the sum of two terms of the form $(-h^{2}/2\hat{\mu}) [2W^{\prime}_{e}(R) + W_{e}(R)\frac{d}{dR}]$, where each $W_{e}(R)$ function is a Lorentzian centred at one of the avoided crossings between the adiabatic F-and E-state potential energy $curves.^{b}$ Application of an $updated^{c}$ version of photodissociation code $BCONT^{d}$ allows the parameters of the two Lorentzians defining this coupling operator to be quantitatively determined from a direct least-squares fit to the 274 $measured^{a}$ line widths for $^{7,7}Li_{2}$.
Description
$^{a}$S. Antonova, G. Lazarov, K. Urbanski, A. M. Lyyra, L. Li, G.-H. Jeung and W.C. Stwalley, J. Chem. Phys. 112 (2000). $^{b}$A. Bandrauk and M.S. Child, Mol. Phys. 19, 95 (1970). $^{c}$R. J. Le Roy, http://theochem.uwaterloo.caleroy (2000). $^{d}$R. J. Le Roy, Comp. Phys. Comm. 52, 383 (1989).
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry and Biochemistry, University of Waterloo,
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry and Biochemistry, University of Waterloo,