I concur with Grant.
But I would like to also make a complementary observation. For
moderately disordered systems such as nanoscale samples, there's also
no a priori reason to assume that the distribution is not skewed. In
other words, the question of convergence isn't avoided by just
ign
Aaron -
There are a couple of things you should watch out for when fitting cumulants.
First, you should make sure in the fitting process that the third cumulant C3
doesn't get much more than twice C2^(3/2) (i.e. 2 sigma^3) - values much larger
than that are probably unphysical, even if they ha
ron
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Hi Aaron,
I find a nearest-neighbor third cumulant is frequently a useful
parameter for nanoscale materials. It's not just the anharmonicity of
individual bonds, it's also the anharmonicity of the distribution of
environments. In other words, in nanoscale materials there are core
atoms an
Dear XAFS community:
I am fitting Hg L3-edge EXAFS of what I think are mercury sulfide
nanoparticles. I fit Fourier filtered 1st shell Hg-to-Sulfur pair correlations
for 5 spectra and obtain interatomic distances (r) that are 0.2 angstroms
shorter than a cubic HgS(s) (i.e., metacinnabar) and H
