From owner-chemistry@ccl.net Tue Jul 30 04:42:00 2013 From: "Thomas Exner texner/a\gmx.net" To: CCL Subject: CCL:G: External electric field Message-Id: <-49038-130730044053-4435-r4cIOzpSylnlwozfNx+3iw[#]server.ccl.net> X-Original-From: Thomas Exner Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 30 Jul 2013 10:39:45 +0200 MIME-Version: 1.0 Sent to CCL by: Thomas Exner [texner^gmx.net] Dear CCLers: I am interested in the influences of an external electric field on the electron density distribution and structure of my molecule. It is very easy to include such a field in the quantum calculations using e.g. gaussian but I am wondering how I can relate such microscopic fields to the macroscopic field. The used atomic units sound extremely large. Thank you very much for your advice. Thomas