[Wien] How to estimate the the core hole lifetime in x-ray absorption spectra calculation

[Guillaume Radtke]

Dear Lily,

Most of the core-hole finite lifetime broadenings useful for EELS and/or XAS
calculations have been summarized in an annexe of the following book:


Unoccupied Electronic States: Fundamentals for Xanes, Eels, Ips and Bis 
(Topics in Applied Physics) 
by J. C. Fuggle (Author), J. E. Inglesfield (Editor) 
Springer (March 1992)


In the case of the O-K edge, this broadening is estimated to be
close to 0.14eV (lorentzian FWHM) although some authors used slighlty
larger values (for example, PRB vol. 49 (1994) p. 14211).

Best Regards,

Guillaume.

















> ----------------------------------------
> From: Lily Anh <lily_physics at yahoo.com.sg>
> Sent: Sat Sep 13 13:21:52 CEST 2008
> To: <wien at zeus.theochem.tuwien.ac.at>
> Subject: [Wien] How to estimate the the core hole lifetime in x-ray absorption spectra calculation
> 
> 
> Dear all,
> In the input file for x-ray absorption spectra (case.inxs), there is "gamma" which is supposed to related to core-hole lifetime broadening.. So how to estimate the core hole lifetime? Take the oxygen k-edge in ice, how much  "gamma"  is reasonable?
> Any advice will be appreciated!
> Thanks and regards.
> Lily
> 
> 
> 
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