From chemistry-request {*at*} server.ccl.net  Thu Sep  9 19:09:38 1999
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From: "Chungen Liu" <yhdou -8 at 8- pub.jlonline.com>
To: <chemistry[ AT ]ccl.net>
Subject: Help me on the selection of density functional and basis sets for transition metal compunds.
Date: Fri, 10 Sep 1999 07:05:15 +0800
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I want to do some calculations on the transition metal compounds(in solid
state) using DFT scheme. I am troubled by the selection of the density
functional and basis sets. If you have any idea, would you please let me
share your experience.

Thank you in advance.

Chungen

yhdou \\at// pub.jlonline.com