From chemistry-request #at# server.ccl.net Mon Oct 23 07:54:40 2000 Received: from fyserv1.fy.chalmers.se (fyserv1.fy.chalmers.se [129.16.110.66]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id HAA28531 for ; Mon, 23 Oct 2000 07:54:40 -0400 Received: from fy.chalmers.se (ftf-pc32.fy.chalmers.se [129.16.112.162]) by fyserv1.fy.chalmers.se (8.8.8/8.8.8) with ESMTP id NAA11432 for ; Mon, 23 Oct 2000 13:54:34 +0200 (MET DST) Message-ID: <39F426FA.A57EC8C1 {*at*} fy.chalmers.se> Date: Mon, 23 Oct 2000 13:54:34 +0200 From: Patrik Johansson Organization: CTH X-Mailer: Mozilla 4.51 [sv] (Win98; I) X-Accept-Language: sv MIME-Version: 1.0 To: chemistry.,at,.ccl.net Subject: Efield and Raman spectra? Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers I would like to use an external electric field while optimising molecular geometry and then calculate the Raman spectra under the influence of this external field. Since the evaluation of Raman spectra itself uses electric fields is this approach valid?? Replies will be summarised. Sincerely Patrik Johansson Scientist Materials Physics Chalmers University of Technology patrikj ":at:" fy.chalmers.se