Subject: Excited State Reviews

From: Wibke Sudholt <[email-masked]>
Date: Tue, 14 Nov 2000 10:57:32 +0100

Dear CCLers,

I'm looking for review papers and/or key articles and/or web pages about the
quantum chemical calculation of electronically excited states (especially
singlet excited states). I'm interested in organic molecules with about 10
heavy atoms (about 20 atoms in total).

The question I would like to answer is: Which semiempirical/ab initio/density
functional methods are known for this purpose? How expensive and accurate are
they?

I'm aware of the CASSCF/CASPT2 articles of Roos et al. and also of some papers
about CIS, TDDFT, DFT/SCI and DFT/MRCI.

Thank you very much in advance!

Best regards

Wibke Sudholt
Institute of Theoretical Chemistry
Heinrich-Heine-University
Duesseldorf, Germany
[email-masked]