gold basis set

From: Jan Heurich <heurich { *at * } tkm.physik.uni-karlsruhe.de>
Subject: gold basis set
Date: Tue, 9 Jul 2002 15:40:31 +0200 (CEST)

Hi everybody,
 I am planning to carry out some electronic structure calculations
 including gold atoms. In particular it would be great if ehty could be
 carried out with a minimal basis set in the sense that the inner 68
 electrons are all lumped into an ECP and only the "valence"
 s,p,d-shells
 are treated on the level of a gaussian basis set.
 The only basis set which I have found and which fulfills these
 requirements has a maximum angular momentul lmax of 4 in its ECP.
 However, unfortunately TURBOMOLE (which I would like to use) cannot deal with
 this
 apparently so I wonder if there are any other basis sets for gold out
 there which could do the job...?
 Thanks in advance
 Jan Heurich
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