Scott, This paper may help: B. Lengeler and P. Eisenberger, Physical Review B, 22(8), 1980, 3551-3562.
-Rich 2009/3/21 Scott Calvin <scal...@slc.edu> > Hi all, > > One of the most universally accepted facts used in EXAFS analysis is that > the amplitude reduction factor S02 is chemically transferable. > > I've been trying to find a good reference for this--either a key study > establishing it, or a review article asserting it. I know there has been > plenty of good work in recent years trying to make theoretical calculations > of S02, and that they are gradually becoming more accurate. But these recent > advances can't be the reason we treat S02 as transferable, because we've > been doing it for decades. > > How was this established? It seems devilishly difficult to do > experimentally with good accuracy, because S02 will correlate to some extent > with other parameters. Those correlations can be broken to some extent by > using *k* dependence, but it seems the uncertainties would still be > somewhat high. On the other hand, were there compelling theoretical reasons > back in the 80's for believing transferability to hold? > > Currently, how good do we think the assumption of transferability really > is? Good to 5% for any compound at that edge? Good to 1% for compounds with > similar local environments at that edge? Better than that? (I'm asking about > the EXAFS region; say, more than two inverse angstroms above the edge.) > > I eagerly await your collective wisdom, knowledge, and humorous anecdotes. > > --Scott Calvin > Sarah Lawrence College > > P.S. I resent this to change the subject line to something more > appropriate; this may be a thread that people will want to find in searches > later. Sorry for the double post! > > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > ------------------------------------------------- Richard Mayes Graduate Research Assistant Craig Barnes Group 450 Buehler Hall Dept. of Chemistry Univ. of Tennessee Knoxville, TN 37996
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