Subject: how to do the excited calculation with ADF package?

From: "Wei Haiyan" <weihy !=! hpsv.pku.edu.cn>
Date: Mon, 4 Apr 2005 01:13:38 +0800

hello,

Does someone know how to do the excited calculation in ADF package?
For example, i want to deal with the transition metal complex:[NH3)5Ru-
Pyrazine-Ru(NH3)5]5+, the ground state is calculated to be a single 
electron occupying in the Ru-dxz orbital, and zero electron occupying 
Ru-dz2 orbital, then i want to get the excited state with exciting the 
electron in Ru-dxz orbital to Ru-dz2 orbital? how to get the excited 
state? 

Thank you very much!

----------------------------------
HaiYan Wei
Ph. D.
College of Chemistry and Molecular Engineering
Peking University, Beijing 100871,
P. R. China
Tel: 86-10-6276-5703
Email: weihy !=! hpsv.pku.edu.cn