From chemistry-request@server.ccl.net Wed Oct 4 02:52:05 2000 Received: from mail.sun.ac.za (mail.sun.ac.za [146.232.128.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id CAA12175 for ; Wed, 4 Oct 2000 02:52:02 -0400 Received: from akad.sun.ac.za ([146.232.80.254]) by mail.sun.ac.za with esmtp (Exim 2.10 #1) id 13giNA-00048l-00 for chemistry@ccl.net; Wed, 4 Oct 2000 08:49:48 +0200 Received: from SUN_AKAD/SpoolDir by AKAD.SUN.AC.ZA (Mercury 1.48); 4 Oct 00 08:49:44 +0200 Received: from SpoolDir by SUN_AKAD (Mercury 1.48); 4 Oct 00 08:49:38 +0200 From: "SA KUEHL" Organization: Stellenbosch University To: chemistry@ccl.net Date: Wed, 4 Oct 2000 08:49:30 +0200 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: overlap integrals Message-ID: <39DAEF17.19830.9FA2B21@localhost> X-Confirm-Reading-To: "SA KUEHL" X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail for Win32 (v3.12c) Dear Chemists, I am looking forroutines which calculate overlap integrals and other one and two electron properties between different atoms in a Slater basis set as a function of interatomic distance. Programs like this were available through the QCPE but are now listed as unavailable. Rather than to use overlap tables, I would rather have a program at my disposal. Does any one have a working version of working copies of QCPE 117, 118, 119, 202, 153. Sincerely, Scott Kuehl Institute for Polymer Science Univesity of Stellenbosch South Africa From chemistry-request@server.ccl.net Wed Oct 4 05:30:11 2000 Received: from mail.chemie.fu-berlin.de (root@mail.chemie.fu-berlin.de [160.45.24.23]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA12991 for ; Wed, 4 Oct 2000 05:30:10 -0400 Received: from raptor.chemie.fu-berlin.de ([160.45.20.53]) (1434 bytes) by mail.chemie.fu-berlin.de via sendmail with P:esmtp/R:bind_hosts/T:inet_zone_bind_smtp (sender: ) id for ; Wed, 4 Oct 2000 11:29:58 +0200 (CEST) (Smail-3.2.0.111) Received: from localhost (leti@localhost) by raptor.chemie.fu-berlin.de (8.8.6 (PHNE_17190)/8.8.6) with ESMTP id LAA21969 for ; Wed, 4 Oct 2000 11:29:57 +0200 (METDST) X-Authentication-Warning: raptor.chemie.fu-berlin.de: leti owned process doing -bs Date: Wed, 4 Oct 2000 11:29:57 +0200 (METDST) From: Leticia Gonzalez Herrero To: CHEMISTRY@ccl.net Subject: polarizability in G98 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, does anybody know in which units GAUSSIAN express the polarizability tensor? Thank you very much in advance. Leticia =-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-=-=-= Dr. Leticia Gonzalez Tel: ()49 30 838 520 97 Freie Universitaet Berlin Fax: ()49 30 838 547 92 Institut fuer Chemie Room: 35.17 Takustrasse 3 leti@chemie.fu-berlin.de D-14195 Berlin http://userpage.chemie.fu-berlin.de/~leti =-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-=-=-= If you find a solution and become attached to it, the solution may become your next problem.