Subject: CCL:problems with DFT

From: Steven Creve <[email-masked]>
Date: Wed, 20 Mar 1996 16:44:44 +0100 (NFT)

Hi,

>From my own work and that of others, is has emerged that DFT has problems
in investigating transition structures for H-radical reactions (additions 
and eliminations) with a low energy barrier. Often, the lack of exact 
Hartree-Fock exchange in some functionals is blamed for this.

I ask you all, if you have any references on this matter, let me know.
I'll summarize to the net.

Steven,

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Steven Creve                       [email-masked]
Labo Quantumchemie                 [email-masked]
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