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Feff Calculations on Charged (Non-neutral) Compounds

To: "FEFF Users" <feffusers@u.washington.edu>
Subject: Feff Calculations on Charged (Non-neutral) Compounds
From: Jeff Terry <terryj@iit.edu>
Date: Wed, 5 Dec 2001 14:45:25 -0600
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Hi All,

I have a question about FEFF calculations on charged clusters. I guessthe root of the question is how do I add or remove electrons to givethe cluster a net charge?


Thanks,

Jeff Terry






Jeff Terry
Biological, Chemical, and Physical Sciences       Dept. of Physics

Illinois Institute of TechnologyUniversity of Notre Dame

Chicago IL 60616					             Notre Dame IN 46556
terryj@iit.edu							    jterry@nd.edu
630-252-9708

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