From tdwoods@suncube.CCS.ORTN.EDU Mon Jan 20 18:17:39 1997 Received: from suncube.CCS.ORTN.EDU for tdwoods@suncube.CCS.ORTN.EDU by www.ccl.net (8.8.3/950822.1) id RAA00581; Mon, 20 Jan 1997 17:56:49 -0500 (EST) Received: from localhost (tdwoods@localhost) by suncube.CCS.ORTN.EDU (8.8.3/8.8.3) with SMTP id RAA28690 for ; Mon, 20 Jan 1997 17:56:51 -0500 (EST) Date: Mon, 20 Jan 1997 17:56:51 -0500 (EST) From: Tony D Woods To: chemistry@www.ccl.net Subject: CCL: Supercomputing project In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters, My name is Daphne Woods. I am a junior in high school at Summertown High School in Tennessee. I am in a class that requires you to do a computational research project complete with a Fortran program. My project is dealing with epidemics. I am looking for data and an equation that I can use to write a Fortran program. If anyone has access to this data or a Fortran program for this project, I would appreciate any help. Thanks, Daphne Woods Please send any replies to: dawoods@eagles.usit.net From ep7@dent.okayama-u.ac.jp Mon Jan 20 22:17:42 1997 Received: from deews1.dent.okayama-u.ac.jp for ep7@dent.okayama-u.ac.jp by www.ccl.net (8.8.3/950822.1) id VAA01504; Mon, 20 Jan 1997 21:47:02 -0500 (EST) From: Received: from [150.46.140.80] (yobou2.dent.okayama-u.ac.jp [150.46.140.80]) by deews1.dent.okayama-u.ac.jp (8.7.5+2.6Wbeta6/3.3W9) with SMTP id LAA20479 for ; Tue, 21 Jan 1997 11:48:20 +0900 (JST) Message-Id: <199701210248.LAA20479@deews1.dent.okayama-u.ac.jp> Date: Tue, 21 Jan 1997 11:49:29 +0900 To: CHEMISTRY@www.ccl.net X-Sender: ep7@dent.okayama-u.ac.jp (Unverified) Subject: Re: CCL: Electron correlation MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.8.5-J13) I have the answers for the following question: I ask everybody about the books and reviews for electron correlation. I thank everybody. I summarize the answers. Masao Masamura Preventive Dentistry Okayama University Dental School Shikata-cho, 2-5-1 Okayama 700 Japan FAX: 81-86-225-3724 e-mail: ep7@dent.okayama-u.ac.jp From: "Jens Spanget-Larsen" Organization: Roskilde Universitetscenter To: Date: Wed, 8 Jan 1997 08:51:26 +0100 Subject: CCL:Electron correlation Priority: normal X-Mailer: Pegasus Mail for Windows (v2.42a) Masao Masamura: > I ask everybody about the books and reviews for electron correlation. Three recent review papers in JPC vol.100 are highly relevant: M. Head-Gordon: "Quantum Chemistry and Molecular Processes" J. Phys. Chem. 100, 13213-13225 (1996) K. Raghavachari, J.B. Anderson: "Electron Correlation Effects in Molecules" J. Phys. Chem. 100, 12960-12973 (1996) W. Kohn, A.D. Becke, R.G. Parr: "Density Functional Theory of Electronic Structure" J. Phys. Chem. 100, 12974-12980 (1996) Numerous additional references to the subject are given in these papers, in particular in the one by Raghavachari and Anderson (187 references). Good Luck! Yours, Jens >--< =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= JENS SPANGET-LARSEN Department of Chemistry Phone: +45 46757781 + 2710 Roskilde University (RUC) Fax: +45 46757721 P.O.Box 260 E-Mail: JSL@virgil.ruc.dk DK-4000 Roskilde, Denmark http://frederik.ruc.dk/dis/chem/psos =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= Date: Wed, 8 Jan 1997 09:25:46 -0500 (EST) From: Jeff Stephens X-Sender: jeffs@gobryas.ccqc.uga.edu To: ep7@dent.okayama-u.ac.jp Subject: Re: CCL:Electron correlation Content-Type: TEXT/PLAIN; charset=US-ASCII Methods In Computational Chemistry 1: Electron Correlation in Atoms and Molecules edited by Stephen Wilson -Jeff Stephens Date: Wed, 8 Jan 1997 09:25:46 -0500 (EST) From: Jeff Stephens X-Sender: jeffs@gobryas.ccqc.uga.edu To: ep7@dent.okayama-u.ac.jp Subject: Re: CCL:Electron correlation Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Thu, 9 Jan 1997 14:42:43 +0100 (MET) From: Robert Franke To: ep7@dent.okayama-u.ac.jp Subject: electron correlation Content-Type: TEXT/PLAIN; charset=US-ASCII dear masao, one of the best overviews about literature concerning ab initio methods and naturally also literature concerning correlation is in my opinion the booklet of H.F. Schaefer III: Quantum Chemistry The development of ab initio methods in molecular electronic structure theory Clarendon Press, Oxford, 1984 It is a commented list of landmark papers from 1928 till 1983. From: andrus@boc.ic.ee (Andrus Metsala) X-Mailer: SCO System V Mail (version 3.2) To: ep7@dent.okayama-u.ac.jp Subject: RE: Electron correlation Date: Fri, 10 Jan 97 11:53:02 estonia Hello Masao Masamura: > I ask everybody about the books and reviews for electron correlation. > > Please replay to me. > > Thank you in advance. I know two good resource about electron correlation: R.C.McWeeny, B.T.Sutcliffe, Methods of Molecular Quantum Mechanics, Academic Press, London, 1969. S.Wilson, Electron Correlation in Molecules, Clarendon Press, Oxford, 1984 Sincerely, yours ________________________________________________________________________ Andrus Metsala Phone: (3722)526510 Institute of Chemistry Fax: (3722)536371 Estonian Academy of E-Mail: andrus@boc.ic.ee Sciences Akadeemia tee 15 EE0026 Tallinn Estonia _________________________________________________________________________ Date: Fri, 17 Jan 1997 10:38:05 -0500 From: Boyd Subject: electron correlation To: "Masamura, Masao" X-Mailer: Mail*Link SMTP-MS 3.0.2 Content-transfer-encoding: 7BIT Dear Dr. Masamura, Last week you were asking about books and chapters on electron correlation. Did you get the information you needed? You may wish to look at the chapter by Rod Bartlett on post-Hartree-Fock methods in Volume 5 (1994) of Reviews in Computational Chemistry. It is very good and has been used in the classroom. Good luck, Don Boyd REVIEWS IN COMPUTATIONAL CHEMISTRY Home Page on the World Wide Web URL http://chem.iupui.edu/~boyd/rcc.html