Subject: CCL: Force Field development, DFT

From: Rainer Remenyi <[email-masked]>
Date: Mon, 5 Aug 2002 13:50:18 +0200 (METDST)

I am doing force field developement by exploring DFT Potential Energy
Surfaces and I got the following comment on this:

"No one DFT method is capable of simultaneously reproducing energies and
geometries."

Any comments, references etc. are interesting for me. I will give a
summary, of course.

Best Regards,

Rainer Remenyi
Anorganisch-Chemisches Institut
Im Neuenheimer Feld 270
69120 Heidelberg
Germany

phone           ++ 49 6221 54 8653
fax                ++ 49 6221 54 6617