[Ifeffit] debye function

[Frenkel, Anatoly]

Just to add:
These procedures, described in that article, can be easily implemented in Mathematica.
Anatoly
 


________________________________

From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Ravel, Bruce
Sent: Tue 8/24/2010 1:23 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] debye function



On Tuesday 24 August 2010 12:23:18 pm Kleber Daum Machado wrote:
>   Hi,
>
> I'd like to know the explicit mathematical expressions that are
> represented by the functions debye(temp,thetad) and eins(temp,thetae).
> Are they given in some documentation file or article?

See

"Extended x-ray absorption fine structure Debye-Waller
factors. I. Monatomic crystals"
E. Sevillano, H. Meuth, J. J. Rehr
Phys. Rev. B 20, 4908-4911 (1979)
http://link.aps.org/doi/10.1103/PhysRevB.20.4908

B


--

 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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