Subject: counter ions and DFT

From: Kiran Boggavarapu <[email-masked]>
Date: Tue, 27 Mar 2001 19:33:26 +0100 (NFT)

Dear All,

I would like to know how to include counter ions in an ab initio
calculation (DFT) using propular packages like Gaussian or Turbomole etc.

And also I would like to hear from  experienced people, how good are these
methods (if any!) in predicting the relative energies of a large system
(say porphyrin like).

 Thanks in advance!
-kiran
[email-masked]