[Wien] Quadrupole Splitting and EFG

Joshua Davis davis101 at chemistry.msu.edu
Tue Aug 13 04:26:08 CEST 2013


Dear Wien Users

I am trying to calculate the quadrupole splitting for a compound we have I
am just curious on what EFG I need..

Would is just be the :EFGxxx value,
the V_20 value,
the V_zz value,
or is is it some combination of the density and V_20 like in the Dr.Blaha's
mossbauer talk.

I know this is going sound like a very simple question, but any
clarification would be much appreciated
----------------------------------------------------------------------------------------------------------------------------------------------
Joshua D. Davis
davis.d.josh at gmail.com
Cell: (734)945-6031

Graduate Assistant
Department of Chemistry
Michigan State University

578 S. Shaw Lane****, room 432**
East Lansing, MI 48824
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