Subject: ADF: AE-Fit-functions

From: [email-masked] (Christoph Schwittek)
Date: Tue, 12 Aug 1997 14:14:26 +0100 (NFT)

A questions concerning ADF:

Has anybody developed fit-functions for the all-electron-basis
to be used in ADF? I ask this question because we would like to
do a geometry-optimization in an electric field by hand (coordinate 
driving) In our opinion it is important to take into account the
inner shells too to explain a molecular electrostriction.
Are there other opinions?