Subject: Large ab initio calculations

From: Michael Braeuer <[email-masked]>
Date: Tue, 11 May 99 10:45:19 METDST

Hi,

I need to know the approximate size of the largest ab initio
calculations done with standard programs so far.

Any hint where I could start searching ?

Thank you very much in advance

Micha

--
Michael Braeuer           http://www.uni-jena.de/chemie/anders/micha.htm
PhD Student               E-mail: [email-masked]
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From: Kris Van Alsenoy <[email-masked]>
Date: Tue, 11 May 1999 13:14:08 +0200 (MET DST)

> Any hint where I could start searching ?
you may want to look at a calculation on crambin, a protein containing 46 
aminoacids (642 atoms).
JPC A, vol. 102, 2246-2251 (1998)
by Yu, Peeters, Martin, Sch\"afer and myself.

sincerely,

kris
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Kris Van Alsenoy, 
Quantum Chemistry, Structural Chemistry Group, Department of Chemistry,
University of Antwerp (UIA), Universiteitsplein 1, B-2610 Antwerp, Belgium.
E-mail : [email-masked] / Phone : +32(3)8202366 / Fax : +32(3)8202310
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