CCL: optimization of excited states
- From: "Nick Isachenkov" <i.nick(~)mail.ru>
- Subject: CCL: optimization of excited states
- Date: Mon, 24 Jan 2011 13:36:13 -0500
Sent to CCL by: "Nick Isachenkov" [i.nick ~~ mail.ru]
I have a ticklish question. Recently I tried to optimize first 3 excited states
of molecules of interest. In Foresman in 9 chapter there are some examples on
how to do it, but only under HF/CIS level of theory, so it unaccebtible. When I
try to do the same with DFT/TD level my calculation drop down. Can you advise
me.