[Ifeffit] Artemis: How to treat Neglected? DS path
"Dr. Dariusz A. Zając"
kicaj at ifj.edu.pl
Fri Feb 3 02:50:29 CST 2012
Have you checked the value of the degeneracy of this path?
IMHO A-B-C-A and A-C-B-A paths are identical
W dniu 12-02-03 09:31, Takahide Yamaguchi pisze:
> Dear all,
> I have been analyzing some EXAFS data based on crystal structure by Artemis.
> The model construction and analysis within the First shell had come
> along OK.
> And I would like to refine the analysis of higher shell including
> multiple scattering.
> But the problem about "How to treat the MS path(especially DS)" is
> existing in the way to goal.
> Generally, Considering triangle arrangement (A-B-C; A is Absorber, B is
> nearest neighbor, C is the next neighbor)
> offers the possibility of two double scattering paths.
> Stated another way, the following two type can be readily considerable.
> "Type I: A-->B-->C-->A and Type II; A-->C-->B-->A"
> By calculation of FEFF on Artemis, a number of DS is computed and
> listed, of course on my computer.
> However, I could find JUST ONLY type II double scatter, no type I.
> In this case, should I simply multiply the amplitude by two?
> Or, are there reasonable answer to neglected type I path?
> I will be glad with your help.
> Best regards,
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
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