Subject: Optimization with density constrain

From: "Amadeu K. Sum" <[email-masked]>
Date: Wed, 13 Oct 1999 17:24:36 -0400

Dear colleagues,

I have come across a problem and I was wondering whether
anyone knows a possible solution. I am looking for ways to
perform an optimization of molecular clusters (containing
several molecules) at the ab initio level such that there
would be some kind of density constrain imposed in the
packing of the molecule. Would anyone know of a
method/algorithm/reference to such problem? Thanks in
advance for any reply.

					Amadeu

Email: [email-masked]