From owner-chemistry@ccl.net Fri Feb 25 05:41:00 2022
From: "Akshaya Narayanasamy akshayanarayanasamy+/-gmail.com" <owner-chemistry!^!server.ccl.net>
To: CCL
Subject: CCL: Accuracy of TD-DFT method in comparison to CASSCF
Message-Id: <-54607-220225053827-14701-KIOz1CjwtzHKBtg7Z07rEw!^!server.ccl.net>
X-Original-From: "Akshaya  Narayanasamy" <akshayanarayanasamy]![gmail.com>
Date: Fri, 25 Feb 2022 05:38:24 -0500


Sent to CCL by: "Akshaya  Narayanasamy" [akshayanarayanasamy,gmail.com]
Hello CCL users,
         I would like to know, how accurate is the excited state optimized 
geometry using the TD-DFT method in comparison to CASSCF? Can the TD-DFT 
optimized excited state geometry be used to generate the potential energy 
surface of the excited state?

Thanks in advance!
Akshaya