From jkl@ccl.net Tue Mar  3 14:51:03 1992
To: chemistry@ccl.net
Subject: The future of ab initio
Date: Tue, 03 Mar 92 14:50:56 EST
From: jkl@ccl.net
Status: R

Dear netters,

We, in the Ohio Supercomputer Center, are trying to predict the trends
and needs in computational chemistry of the (near) future.
And as usual, there are more questions than answers. 

I have a big favo(u)r to ask. Please, answer me the following question:

What would you do if you could ROUTINELY perform ab initio calculations
(let say at the level of HF or HF/MP2) with 500 contracted basis functions?
What kind of projects and applications would you run? Can you think about
any commercial R & D applications where ab initio methods are important
at this level. 

Thank you very much in advance. Mail it to me (jkl@ccl.net), and I will
summarize the responses.

Jan Labanowski
Ohio Supercomputer Center
1224 Kinnear Rd
Columbus, OH 43212-1163, USA
jkl@ccl.net
JKL@OHSTPY.BITNET