CCL: tddft for metal complexes

["Nuno A. G. Bandeira" <nuno.bandeira,ist.utl.pt>]

 Sent to CCL by: "Nuno  A. G. Bandeira" [nuno.bandeira.:.ist.utl.pt]
 Tommy Ohyun Kwon ohyun.kwon===chemistry.gatech.edu wrote:
 > 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!
 Any one of these functionals are known to be fairly accurate for such
 tasks: B3LYP, BP86, PW91
 I don't know which software you use but if you're looking to trace high
 lying excitation energies you should use special assymptotic potentials
 like LB94 or CS00.
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 Nuno A. G. Bandeira, AMRSC
 Graduate researcher and molecular sculptor
 Inorganic and Theoretical Chemistry Group,
 Faculty of Science
 University of Lisbon - C8 building, Campo Grande,
 1749-016 Lisbon,Portugal
 http://cqb.fc.ul.pt/intheochem/nuno.html
 Doctoral student --- IST,Lisbon
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