Subject: RECP for KS-DFT

From: Wolfram Koch <[email-masked]>
Date: Mon, 4 Jan 1999 17:03:50 +0100 (NFT)

Hi there, just a quick question: Are there systematic studies
of the applicability of (R)ECPs designed with conventional
wave function based methods (such as the Hay-Wadt ot Stuttgart
ECPs) to Kohn-Sham DFT? We all assume that it works and I just
wonder whether someone explicitly checked it.
If there is interest, I'll summarize.
Thanks in advance,
Wolfram
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 Prof. Dr. Wolfram Koch     Institut fuer Organische Chemie, Sekr.C3
                            Technische Universitaet Berlin
                            Strasse des 17.Juni 135, D-10623 Berlin
                            Fon: +49 30 314 27870, Fax: +49 30 314 21102
                            e-mail: [email-masked]
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