From chan@uni-muenster.de Tue Jul 29 05:14:10 1997 Received: from asterix.uni-muenster.de for chan@uni-muenster.de by www.ccl.net (8.8.3/950822.1) id FAA19337; Tue, 29 Jul 1997 05:11:23 -0400 (EDT) Received: from localhost (chan@localhost) by asterix.uni-muenster.de (8.7.5/8.7.5) with SMTP id LAA66552 for ; Tue, 29 Jul 1997 11:11:19 +0200 X-Authentication-Warning: asterix.uni-muenster.de: chan owned process doing -bs Date: Tue, 29 Jul 1997 11:11:19 +0200 (MES) From: "Jerry C.C. Chan" To: CHEMISTRY@www.ccl.net Subject: Diffuse and Polarization functions for TZV basis set Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi CCLers, We are working on DFT calculations of molecules containing C, F, etc, using TZVP basis set (UniChem_basis). Could anyone please tell us where we can get some appropriate diffuse and polarization functions for the first two row elements? I will summarize. Many thanks, Jerry ****************************************************************** * Jerry Chun Chung CHAN chan@moorea.uni-muenster.de * * * * Universitaet Muenster phone: 0049-251-83-29156 * * Institut fuer Physikalische Chemie fax: 0049-251-83-29159 * * Schlossplatz 4-7 * * D-48149 Muenster * * Germany * ******************************************************************