[Wien] chemical bonding

Laurence Marks L-marks at northwestern.edu
Tue Mar 6 03:38:33 CET 2012

Charge, as measured from DFT, and valence (chemical bonding) are very, very

Without more information as to what you are asking, that is about the only
answer available.

Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Mar 5, 2012 7:11 PM, "Yundi Quan" <quanyundi at gmail.com> wrote:

> Does LAPW method always underestimate the chemical bonding? For example,
> Fe2+ and Fe3+ have the same charge around them.
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