Re: [Ifeffit] charge transfer

2009-01-02 Thread Scott Calvin
I'd add to Bruce's explanation that the numbers usually end up being qualitatively similar to what you'd expect from oxidation states, but much smaller than the oxidation number. Saying iron is in a +2 oxidation state, for instance, doesn't really mean two electrons have been completely tra

Re: [Ifeffit] charge transfer

2009-01-02 Thread Bruce Ravel
On Friday 02 January 2009 09:15:05 am Bruce Ravel wrote: >   what does charge transfer mean in FEFF? >   I cant understand what the number of charge transfer like 0.058, -0.073 >   means.  The number indicate the number of electron in atom? >   >   If anybody knows it, please answer >   > >   Charg

[Ifeffit] charge transfer

2009-01-02 Thread Bruce Ravel
Hi all, The following message from Jeong Eun Suk was not delivered correctly to the mailing list. Fortunately, I noticed the problem and am forwarding it along now. B Original message: what does charge transfer mean in FEFF? I cant understand what the number of charge transfer like 0.05