Re: CCL:Geometry optimization with BSSE correction



Hi, the program GAMESS, available free of charge at
 http://www.msg.ameslab.gov/GAMESS/GAMESS.html
 is able to calculate the BSSE correction through the routine SCF-MI
 (see ref E. Gianinetti et al. J. Quantum Chem, 60, 157 (1996)).
 Althoug the SCFMI is limited to two monomers at the RHF level.
 Alessandro Contini
 On Wed, 26 Nov 2003, Giju Kalathingal wrote:
 > Dear CCL-all,
 >
 > Could you please give me info if there is some software available
 > for geometry optimization with BSSE correction?
 >
 > Thanks.
 > 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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 Alessandro Contini, Ph.D.
 Istituto di Chimica Organica "Alessandro Marchesini"
 Universit` degli Studi di Milano, Facolt` di Farmacia
 Via Venezian, 21 20133 Milano
 Tel. +390250314480 Fax. +390250314476
 e-mail alessandro.contini*at*unimi.it