CCL: tddft for metal complexes

 Sent to CCL by: "Nuno  A. G. Bandeira" []
 Tommy Ohyun Kwon wrote:
 > Sent to CCL by: Tommy Ohyun Kwon []
 > Dear CCLers;
 > I would like to know which densify functional gives good excitation
 > 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.
 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
 Doctoral student --- IST,Lisbon