[Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin); Re: Ifeffit Digest, Vol 92, Issue 4

Scott Calvin dr.scott.calvin at gmail.com
Wed Oct 6 12:51:59 CDT 2010

On Oct 6, 2010, at 10:41 AM, Han Sen Soo wrote:

> Hello Scott,
> Just to make sure I understand what you mean, are you saying that in  
> your 3 atom system, the S1 and S2 atoms have relatively fixed  
> locations but A may have large vibrational amplitudes in the A-S1  
> and A-S2 directions? So the round-trip 3 atom MS path has a small  
> sigma^2 value since the variation in the A-S1-S2-A path is dictated  
> by the more or less fixed S1 and S2 end-points (with minimal  
> perpendicular contribution), whereas the 2 individual SS paths have  
> large sigma^2 value due to the large A-S vibrations?

Yes--you explained it far better than I did. :)

--Scott Calvin
Sarah Lawrence College

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