Subject: porphyrin

From: Christophe Biot <cbiot.-at-.ulb.ac.be>
Date: Tue, 18 Jan 2005 11:15:20 +0100 (MET)

Dear All,

I would like to perform an analysis of the geometrical and electronic structure of some iron-porphyrin derivatives.

Could someone advise me about the method of choice (DFT, HF, MP2...) for such kind of calculation?
 And also about the basis set (Lanl2dz, LanL2dm, SDD, ...) to use?

regards

christophe