From hodgecn@carbon.dmpc.com Thu Apr 24 14:38:32 1997 Received: from gatekeeper.es.dupont.com for hodgecn@carbon.dmpc.com by www.ccl.net (8.8.3/950822.1) id NAA15302; Thu, 24 Apr 1997 13:49:50 -0400 (EDT) Received: by gatekeeper.es.dupont.com; id NAA14160; Thu, 24 Apr 1997 13:49:49 -0400 Received: by esds01.es.dupont.com; id AA20561; Thu, 24 Apr 97 13:49:48 -0400 Received: from [158.117.170.100] (esm170100.dmpc.com [158.117.170.100])by carbon.dmpc.com (8.8.5/8.8.5) with ESMTP id NAA15532for ; Thu, 24 Apr 1997 13:49:45 -0400 (EDT) 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 Date: Thu, 24 Apr 1997 13:48:07 -0400 To: chemistry@www.ccl.net From: Nick Hodge Subject: Address Change Greetings, Could you please change my email address from hodgecn@lldmpc.dnet.dupont.com to hodgecn@carbon.dmpc.com? Thank you! Nick Hodge __________________________________________________ C. Nick Hodge, Ph.D. Head, Computer Aided Drug Design Group The DuPont Merck Pharmaceutical Company P.O. Box 80500 Wilmington DE 19880-0500 Phone: +1 (302) 695 3698 Fax: +1 (302) 695 9090 Internet: hodgecn@carbon.dmpc.com __________________________________________________ From rassolov@chem.nwu.edu Thu Apr 24 17:38:30 1997 Received: from mercury.chem.nwu.edu for rassolov@chem.nwu.edu by www.ccl.net (8.8.3/950822.1) id QAA16534; Thu, 24 Apr 1997 16:46:36 -0400 (EDT) Received: from potassium.chem.nwu.edu by mercury.chem.nwu.edu (AIX 3.2/UCB 5.64/4.03) id AA24091; Thu, 24 Apr 1997 15:46:50 -0500 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Thu, 24 Apr 1997 15:45:47 -0600 To: chemistry@www.ccl.net From: "Vitaly A. Rassolov" Subject: Relativity: Gaunt vs. Breit in molecules Hello everyone, The leading term in relativistic electron-electron interaction is described by the Breit Hamiltonian. It is often stated in the literature that the Gaunt (magnetic) part of this interaction is more important than the rest (the effect of retardation). Is anyone aware of the calculation on molecular (as opposed to atomic) system that compares these two effects? Vitaly Rassolov Department of Chemistry tel. (847) 491-3423 Northwestern University 2145 Sheridan Rd. rassolov@chem.nwu.edu Evanston, IL 60208-3113