Subject: Help wanted on TD-DFT geometry optimizat

From: cgliu <[email-masked]>
Date: Fri Jun 9 00:16:49 CST 2000

Dear cclers:

I'm sorry to disturb you again. Some one told me that G98 can use TD-DFT to
optimize the geometry for excited states. But I always failed in doing so.
Does anyone have such experiences?

By the way, can G98 be used to calculate the thermodynamic properties for
excited structures?

Best regards,

Chungen

===================================================================
������ѵ������� http://mail.sina.com.cn 
�μ�CNNIC�н����飬����ʮ����վ��ѡͶƱȨ http://fsurvey.cnnic.net.cn/survey/index.html