OSCILATOR STRENGTH SUMS AND AVERAGE DISPERSION COEFFICIENTS, $C^{6}$, FOR He TO Kr
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Date
1971
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Ohio State University
Abstract
The oscillator strength sums {S}(-{k})=-\frac{2}{3}(2{j}+1)^{-1}\sum_{{J}^{\prime}}<{J}\parallel{R}^{(1)}\parallel{J}^{\prime}><{J}^{\prime}\parallel{R}^{(1)}\parallel{J}>(-)^{j^{\prime}-j}/({E}_{j}-{E}_{j})^{{k}-1} for k=1,2,3 have been calculated for the atoms He thru Kr. The sum S ($-1$) is calculated directly from analytical Hartree-Fock wavefunctions and S ($-2$) and S ($-3$) are found via a variational method $^{1}$ The interpolated values of S ($-1.5$) gave the spherically averaged dispersion coefficient as $C_{6}=\frac{3}{4}{S}(-1.5)^{2}$ for the homonuclear $diatomics.^{2}$
Description
$^{1}$J. Thorhallsson, C. Fisk, and S. Fraga, Theoret. Chim. Acta (Berl.) 10. 388 (1968). $^{2}$Howard L. Kramer. J. Chem. Phys. 53, 2783 (1970).""
Author Institution: Department of Chemistry, Atlanta University; Evans Chemical Laboratory, A. D. Little, Inc.
Author Institution: Department of Chemistry, Atlanta University; Evans Chemical Laboratory, A. D. Little, Inc.