Summary:Geometry optimization with BSSE correction
- From: Giju Kalathingal <gkalathi$at$vub.ac.be>
- Subject: Summary:Geometry optimization with BSSE correction
- Date: Thu, 27 Nov 2003 11:10:14 +0100 (MET)
Dear CCl-all,
Thanks to all for providing the information.
It could be summarized as follows.
Gaussian98 A10/A11, Gaussian 03, Gamess(US), and MOLPRO are capable
of doing it. We have tested it with Argon dimer using Gaussian03.
The optimization succeeded only under non-symmetry (NOSYMMETRY keyword).
Very useful webpage on this is,
http://iqc.udg.es/~perico/bbopt.html
Giju Kalathingal
Department of General Chemistry (ALGC)
Vrije Universiteit Brussel
Pleinlaan 2, 1050 Brussels, Belgium.
Tel.:++32-2-629-3315 Fax: ++32-2-629-3317
E-mail: Giju.Kalathingal$at$vub.ac.be
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