From chemistry-request \\at// ccl.net Fri Jan 9 13:59:54 2004 Received: from server.ccl.net (server.ccl.net [192.153.40.39]) by servernd.ccl.net (8.12.8/8.12.8) with ESMTP id i09Ixqld011358 for ; Fri, 9 Jan 2004 13:59:52 -0500 Received: from be-research.ucsd.edu (be-research.ucsd.edu [132.239.236.13]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i09IxbX9023627 for ; Fri, 9 Jan 2004 13:59:38 -0500 Received: from localhost (dsteiger # - at - # localhost) by be-research.ucsd.edu (8.11.1/8.11.1) with ESMTP id i09IxbN3848020 for ; Fri, 9 Jan 2004 10:59:37 -0800 (PST) Date: Fri, 9 Jan 2004 10:59:36 -0800 From: Don Steiger To: chemistry-.at.-ccl.net Subject: Alternative to dielectric for polarization in Poisson equation. Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hello, I would like to use the Poisson Boltzmann equation to model polymerization. This approach requires the use of a dielectric value for the monomers. When the monomers are far apart, this may produce reasonable results. However, as the monomers approach each other, a constant scalar dielectric model will break down. Does anybody know of any papers that correct for polarization using some other approach? Thanks, Don