Abstract
Theoretical EXAFS spectra generated by FEFF6 and FEFF8 are compared. As a test of the effect of charge transfer on EXAFS analysis, we examine the aqueous uranyl (UO22+) ion. We find that the major difference between FEFF8 and FEFF6 is the edge energy position of approximately 5 eV. Modest changes in the forward focusing multiple scattering path of the uranyl resulting with FEFF8 produce a better model of the measured hydrated uranyl spectrum.
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