From rochus@felix.anorg.chemie.tu-muenchen.de Fri Aug 29 11:21:00 1997 Received: from felix.anorg.chemie.tu-muenchen.de for rochus@felix.anorg.chemie.tu-muenchen.de by www.ccl.net (8.8.3/950822.1) id KAA13864; Fri, 29 Aug 1997 10:33:25 -0400 (EDT) Received: by felix.anorg.chemie.tu-muenchen.de (940816.SGI.8.6.9/930416.SGI) for chemistry@www.ccl.net id QAA24780; Fri, 29 Aug 1997 16:33:23 +0200 From: "Rochus Schmid" Message-Id: <9708291633.ZM24778@felix> Date: Fri, 29 Aug 1997 16:33:22 -0600 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@www.ccl.net Subject: dispersion interaction Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii dear netters: from my poor textbook knowledge I rmemeber, that the dispersion interaction between e.g. rare gas atoms is something like a "induced dipole- induced dipole" interaction and it follows -1/r^6. Right? It is a "correlation" effect, thus, it doesn't appear in HF-calcs. can someone point me to a ref. or explain me the origin in more detail? And are there any methods to somehow extract the amount of dispersion interaction energy from post-HF calcs.? (or is this a stupid idea?) thanx in advance. best regards rochus -- ******************************************************************************** Dr. Rochus Schmid Technische Universitaet Muenchen Tel. ++49 89 2891 3385 Lehrstuhl f. Anorganische Chemie 1 Fax. ++49 89 2891 3473 Prof. W. A. Herrmann E-mail: Lichtenbergstrasse 4 rochus@felix.anorg.chemie.tu-muenchen.de 85747 Garching ********************************************************************************