CCL: tddft for metal complexes

 Sent to CCL by: "Luca Bertini" [luca.bertini(!)istm.cnr.it]
 Hi Tommy,
 As far as I know, there is not a safe recipe for excitation energies, as for
 the computation of the  ground state properties.
 In the recent literature you can find some paper about this issue. The most
 recent one (I guess...) is
 J. Chem. Theory Comput. 1, 953-962 (2005).
 Check it out!
 In any case, I would always recommend to computed excitation energies with
 different DFT funtionals, in order to understand which is the best one for
 your systems.
 Best, Luca B.
 ---------- Original Message -----------
 > From: "Tommy Ohyun Kwon ohyun.kwon===chemistry.gatech.edu"
 <owner-chemistry^ccl.net>
 To: "Bertini, Luca " <bert^istm.cnr.it>
 Sent: Mon, 29 May 2006 11:25:56 -0400
 Subject: CCL: tddft for metal complexes
 > Sent to CCL by: Tommy Ohyun Kwon [ohyun.kwon.^.chemistry.gatech.edu]
 >
 > Dear CCLers;
 > I would like to know which densify functional gives good excitation
 energies
 > of transition metal complexes, especially Pt complexes.
 > Any advice and reference would be greatly appreciated.
 > Have a good weekend!
 >
 > Best wishes,
 >
 > Tommy
 >
 > --
 > Tommy Ohyun Kwon, Ph.D
 > School of Chemistry and Biochemistry
 > Georgia Institute of Technology
 > Atlanta Georgia, 30332
 > Email: ohyun.kwon^-^chemistry.gatech.edu
 >
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 ------- End of Original Message -------