From stoutepf@chemsci1.dmpc.com Sun Jun 4 10:46:50 1995 Received: from gatekeeper.es.dupont.com for stoutepf@chemsci1.dmpc.com by www.ccl.net (8.6.10/930601.1506) id KAA23694; Sun, 4 Jun 1995 10:34:18 -0400 Received: by gatekeeper.es.dupont.com; id AA13262; Sun, 4 Jun 95 10:33:33 -0400 Received: from [158.117.200.143] (llm200143.dmpc.com) by chemsci1.dmpc.com (4.1/SMI-4.1) id AA25336; Sun, 4 Jun 95 10:31:42 EDT X-Sender: stoutepf@chemsci1.dmpc.com (Unverified) Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Organization: The DuPont Merck Pharmaceutical Company X-Mailer: Eudora 1.5.1 for Macintosh X-Url: http://www.halcyon.com/stouten/index.html Date: Sun, 4 Jun 1995 10:31:56 -0500 To: biblio@smartdocs.com, chemistry@ccl.net, shogi-l@technion.technion.ac.il From: stoutepf@chemsci1.dmpc.com (Pieter Stouten) Subject: Alternative to the Communications Decency Act of 1995 Cc: ace@tidbits.com >**Decency's in the Eye of the Beholder** -- An alternative to the > Communications Decency Act of 1995 (see TidBITS-263_) has been > proposed by Senator Patrick Leahy. The Leahy bill, S.714 (called > the "Child Protection, User Empowerment, and Free Expression in > Interactive Media Study" bill) proposes a five month study of > current law and technological capabilities surrounding access to > controversial content via electronic media. At this time, this > bill presents the only alternative to the Exon/Gorton > Communications Decency Act, which is likely to pass without a > strong show of support for Leahy's alternative. More information > and, yes, an online petition can be found at the following URLs. > It's worth noting that the original petition against the > Communications Decency Act gathered more than 108,000 signatures. > [GD] > >http://www.eff.org/pub/Alerts/s314_hr1004_s652.alert >http://www.cdt.org/cda.html >http://www.cdt.org/petition.html The above is an excerpt from TidBITS (a newsletter for Mac users, published by Adam C. Engst ) #279/29-May-95. From h.rzepa@ic.ac.uk Sun Jun 4 14:01:51 1995 Received: from romeo.ic.ac.uk for h.rzepa@ic.ac.uk by www.ccl.net (8.6.10/930601.1506) id NAA25103; Sun, 4 Jun 1995 13:50:28 -0400 Received: from cscmgb.cc.ic.ac.uk (actually sg1.cc.ic.ac.uk) by romeo.ic.ac.uk with SMTP (PP); Sun, 4 Jun 1995 18:48:41 +0100 Received: from [155.198.224.89] by cscmgb.cc.ic.ac.uk (931110.SGI/4.0) id AA09657; Sun, 4 Jun 95 18:48:07 +0100 X-Sender: rzepa@155.198.63.8 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Sun, 4 Jun 1995 17:48:45 +0000 To: CHEMISTRY@ccl.net From: h.rzepa@ic.ac.uk (Rzepa,Henry) Subject: Final call for ECTOC-1 Registrations The ECTOC-1 Conference (Electronic conference on Trends in Organic Chemistry) will be shortly going "on air" for e-mail discussions of the >70 papers we expect to have mounted. This is the last call for people to register on the listserver to receive the discussions. To do so, send a message to listserver@ic.ac.uk containing the following line (no signature please) subscribe ectoc your name The papers cover two broad aspects of organic chemistry; synthesis and novel reactions and reagents mechanism, structure, novel materials and other physical organic aspects. We are also in the initial stages of planning ECTOC-2, which we expect to have the theme of heterocyclic chemistry. If your interests are not directly in organic chemistry, do please alert any of your colleagues who may wish to participate in either ECTOC-1 or ECTOC-2. Dr Henry Rzepa, Department of Chemistry, Imperial College, LONDON SW7 2AY; rzepa@ic.ac.uk via Eudora 2.1.2; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. World-Wide Web URL: http://www.ch.ic.ac.uk/rzepa.html From JDA03546@niftyserve.or.jp Sun Jun 4 19:31:56 1995 Received: from inetnif.niftyserve.or.jp for JDA03546@niftyserve.or.jp by www.ccl.net (8.6.10/930601.1506) id TAA27065; Sun, 4 Jun 1995 19:28:05 -0400 Received: by inetnif.niftyserve.or.jp (8.6.9+2.4W/3.3W8-950117-Mail-Gateway) id IAA03255; Mon, 5 Jun 1995 08:28:44 +0900 Message-Id: <199506042328.IAA03255@inetnif.niftyserve.or.jp> Date: Mon, 05 Jun 1995 08:26:00 +0900 From: "JDA03546@niftyse" Subject: Ground State with Correlation To: chemistry@ccl.net Dear netters, There is one thing which is bugging me. There are two ( or more ) electronic states which have the same symmetric/spin states. UHF says state 1 is the lowest energy while MP2 says state 2 is. (It happenes quite often when I calculate some transition metal compounds.) The simple interpretation is, state 2 is the real ground state taking into account the electron correlation. But on the second thought, perturbation methods like MP2 can be used only to the ground state. So the MP2 calculation on state 2 is meaningless? How should I see this? And how can I find the "real ground state" accounting for the electron correlation? Do I have to go to MCSCF? Thanks in advance. Kazuo