From chemistry-request@server.ccl.net Sat Apr 15 08:04:33 2000 Received: from ccl.net (atlantis.ccl.net [192.148.249.4]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id IAA03650 for ; Sat, 15 Apr 2000 08:04:33 -0400 Received: from yogi.pc1.uni-duesseldorf.de (yogi.pc1.uni-duesseldorf.de [134.99.152.44]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id IAA16897 for ; Sat, 15 Apr 2000 08:04:21 -0400 (EDT) Received: (from jochen@localhost) by yogi.pc1.uni-duesseldorf.de (8.9.3/8.9.3) id OAA12184; Sat, 15 Apr 2000 14:04:49 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Message-ID: <14584.23264.295795.21224@yogi.pc1.uni-duesseldorf.de> Date: Sat, 15 Apr 2000 14:04:48 +0200 (CEST) From: Jochen Kuepper To: CCL Subject: Gaussian is ahead X-Mailer: VM 6.72 under 21.1 (patch 9) "Canyonlands" XEmacs Lucid Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id IAA03651 Dear All, I always knew Gaussian is ahead of all of us, but that's probably too much ;-) See http://www.gaussian.com/00000010.htm Jochen -- Heinrich-Heine-Universität Institut für Physikalische Chemie I Jochen Küpper Universitätsstr. 1, Geb. 26.43 Raum 02.29 40225 Düsseldorf, Germany phone ++49-211-8113681, fax ++49-211-8115195 http://www.Jochen-Kuepper.de From chemistry-request@server.ccl.net Sat Apr 15 20:54:54 2000 Received: from smtp.Stanford.EDU (smtp.Stanford.EDU [171.64.14.23]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id UAA07335 for ; Sat, 15 Apr 2000 20:54:53 -0400 Received: from eis49 (sunet-dhcp-chem1-dynamic-218.Stanford.EDU [171.64.121.218]) by smtp.Stanford.EDU (8.9.3/8.9.3) with SMTP id RAA18088 for ; Sat, 15 Apr 2000 17:54:50 -0700 (PDT) Message-Id: <4.1.20000415174832.00a03710@pechen.pobox.stanford.edu> X-Sender: pechen@pechen.pobox.stanford.edu X-Mailer: QUALCOMM Windows Eudora Pro Version 4.1 Date: Sat, 15 Apr 2000 17:54:47 -0700 To: chemistry@ccl.net From: Peng Chen Subject: Excited State Analysis in Gaussian98 using TD? Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Hi there, Does any of you know how to perform an exciated state analysis in Gaussiaa98? I've done a Time-dependent DFT calculation and would like to look into the excited states. If it's possible to generate natural orbitals describing the excited states and do pop analysis, it would be great. Any suggestions will be highly appreciated. Peng ----------------------------------------------------------- Peng Chen Department of Chemistry S. G. Mudd, Box 162 Stanford University Stanford, CA 94305 Phone: 650-723-9128 Fax: 650-725-0259 Email: pechen@leland.stanford.edu -----------------------------------------------------------