From chemistry-request- at -server.ccl.net Mon Apr 15 08:12:42 2002 Received: from jivdhan.unipune.ernet.in ([196.1.114.31]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3FCCfj00741 for ; Mon, 15 Apr 2002 08:12:41 -0400 Received: from chem.unipune.ernet.in (chem.unipune.ernet.in [196.1.114.10]) by jivdhan.unipune.ernet.in (8.11.6/8.11.6) with ESMTP id g3FCCO406465 for ; Mon, 15 Apr 2002 17:42:24 +0530 Received: from localhost (gadre.,at,.localhost) by chem.unipune.ernet.in (8.9.3/8.8.7) with ESMTP id RAA07387 for ; Mon, 15 Apr 2002 17:39:22 +0530 Date: Mon, 15 Apr 2002 17:39:22 +0530 (IST) From: To: CHEMISTRY(+ at +)server.ccl.net Subject: Ab initi Molecular properties with linear scaling methods Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Colleagues : Linear scaling methods have become very popular for ab intio level treatment of large molecules. We have been working with molecular properties (such an electron density, electrostatic potential and field, dipole moment etc.)obtained by these methods at ab initio level of theory with a good basis-set (6-31++G(d,p) and higher). I could not get too many such references in the literature for large molecules and will appreciate receiving these! Thanks ................Shridhar Gadre