CCL: G09: TDDFT frequency job
- From: "Saman Mandegar"
<mandegar_saman**yahoo.com>
- Subject: CCL: G09: TDDFT frequency job
- Date: Thu, 8 Mar 2012 11:12:37 -0500
Sent to CCL by: "Saman Mandegar" [mandegar_saman/a\yahoo.com]
Dear All,
I have optimized the geometry of a system for the first excited state using
TDDFT. To assure that the found stationary point is a minimum in the excited
state I have to perform frequency analysis which is prohibitively expensive for
my system. I am wondered to ask a naive question. Performing the frequency
calculation using the same functional but using DFT method could be a reasonable
approximation for TDDFT frequencies?
Thank you for your kind answer.
best wishes,
Saman