From kwonohy:~at~:mail.auburn.edu Sun Apr 26 16:27:09 1998 Received: from mallard.duc.auburn.edu for kwonohy _-at-_)mail.auburn.edu by www.ccl.net (8.8.3/950822.1) id PAA22014; Sun, 26 Apr 1998 15:34:28 -0400 (EDT) Received: from localhost by mallard.duc.auburn.edu (SMI-8.6/SMI-SVR4) id OAA12388; Sun, 26 Apr 1998 14:34:27 -0500 Date: Sun, 26 Apr 1998 14:34:27 -0500 (CDT) From: Ohyun Kwon X-Sender: kwonohy:~at~:mallard2 To: chemistry -x- at -x- www.ccl.net Subject: band gap calculation for open shell system Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL's; I 'd like to ask you how to calculate badn gap and excitation energies of open shell system. If anybody has some experiences about this matter using both ab initio and semiempirical methods would you please give some advices to me? I am looking forward to hearing from you soon. Yours Ohyun Kwon Department of Chemistry Auburn University Auburn AL 36849 USA email) kwonohy.,at,.mail.auburn.edu