Subject: band gap calculation for open shell system

From: Ohyun Kwon <[email-masked]>
Date: Sun, 26 Apr 1998 14:34:27 -0500 (CDT)

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) [email-masked]