[Ifeffit] X-ray natural circular dichroism by FEFF?

Matthew Marcus mamarcus at lbl.gov
Tue Sep 10 11:28:44 CDT 2013


Can FEFF calculate X-ray natural circular dichroism, which is the XCD that comes from structural chirality and not
magnetism?  I suppose I could simply try it, putting in coordinates for some simple molecule, but I'd like to know
if any results would be meaningful.
	mam



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