CCL: G09: TDDFT frequency job



 Sent to CCL by: "luca bertini" [luca.bertini^unimib.it]
 
No, becuase you are computing sencond derivatives on the ground state PES that has a different tolopogy with respect to that of the excited state. Sorry but this computation has no meaning!
 On Thu, 8 Mar 2012 11:12:37 -0500
 
"Saman Mandegar mandegar_saman]![yahoo.com" <owner-chemistry a ccl.net> wrote:
 
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
 
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