From chemistry-request ^at^ ccl.net Fri Jun 17 04:31:50 2005
Received: from distrib2.mail.u-psud.fr (distrib2.mail.u-psud.fr [129.175.34.154])
	by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5H8Vi7H003860
	for <chemistry [] ccl.net>; Fri, 17 Jun 2005 04:31:44 -0400
Received: from intfiltre3.mail.u-psud.fr (intfiltre3.mail.u-psud.fr [129.175.34.151])
	by distrib2.mail.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5H8VfC5008460
	for <chemistry [] ccl.net>; Fri, 17 Jun 2005 10:31:41 +0200
Received: from post1.mail.u-psud.fr (post1.mail.u-psud.fr [129.175.34.87])
	by intfiltre3.mail.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5H8Uewp029690
	for <chemistry [] ccl.net>; Fri, 17 Jun 2005 10:31:40 +0200
Received: from ext.lcp.u-psud.fr (ext.lcp.u-psud.fr [129.175.100.5])
	by post1.mail.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5H8TKRf016776
	for <chemistry [] ccl.net>; Fri, 17 Jun 2005 10:29:21 +0200
Received: from lcp.u-psud.fr (pc7.lcp.u-psud.fr [129.175.101.37])
	by ext.lcp.u-psud.fr (8.13.1/8.13.1) with ESMTP id j5H8TMSh008949
	for <chemistry [] ccl.net>; Fri, 17 Jun 2005 10:29:23 +0200
Message-ID: <42B289E2.4030103 [] lcp.u-psud.fr>
Date: Fri, 17 Jun 2005 10:29:22 +0200
From: Pierre Archirel <pierre.archirel [] lcp.u-psud.fr>
User-Agent: Mozilla/5.0 (X11; U; Linux i686; fr; rv:1.4.1) Gecko/20031114
X-Accept-Language: fr, en
MIME-Version: 1.0
To: chemistry [] ccl.net
Subject: CCL: NDDO code
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Content-Transfer-Encoding: 8bit
X-Scanned: by amavis
X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed 
	version=3.0.3
X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net

Dear collegue,
The AMPAC package (by Holder, Liotard et al.) uses the NDDO postulate:
the integrals are calculated with a STO-3G basis, and then weighted with a
geometry dependent factor. The source is not free.
Best wishes,
P.A.

__________________________________________________________

 Pierre Archirel
 Groupe de Chimie Thiorique
 Laboratoire de Chimie Physique      Tel: 01 69 15 63 86
 Bat 349                             Fax: 01 69 15 61 88
 91405 Orsay Cedex
 France                   pierre.archirel [] lcp.u-psud.fr
__________________________________________________________