Subject: BSSE (Quantum ab initio).

From: Winn P J <[email-masked]>
Date: Thu, 16 Mar 95 16:09:22 GMT

What is the current consensus on the affect of
basis set superposition errors on ab initio quantum 
calculations???? In particular I would be interested
in:-

(i) The affect it has on interatomic distances when
optimising a group of molecules.

(ii) The overall expected error in interaction 
energies one might expect from a group of optimised
molecules.

(iii) Identifying you have a BSSE

(iv) Correcting for BSSE.

(v) A reference covering the above problems in
a consistent manner.

I have found many references that deal with BSSE
but nothing that really gives an overview of the
whole problem.
All help is gratefully received, no matter how small.

Peter Winn.
[email-masked]