From MAR:~at~:ecs.umass.edu Thu Sep 12 16:11:16 1996 Received: from ecs.umass.edu for MAR(+ at +)ecs.umass.edu by www.ccl.net (8.7.5/950822.1) id PAA17938; Thu, 12 Sep 1996 15:24:49 -0400 (EDT) Received: from ECS.UMASS.EDU by ECS.UMASS.EDU (PMDF V5.0-7 #6523) id <01I9E9FAMA4GA4LPIJ: at :ECS.UMASS.EDU> for chemistry: at :www.ccl.net; Thu, 12 Sep 1996 15:17:20 -0500 Date: Thu, 12 Sep 1996 15:17:19 -0500 From: Perry Mar Subject: Becke 1988 nonlocal exchange potential To: chemistry.,at,.www.ccl.net Message-id: <01I9E9FAPRIQA4LPIJ-: at :-ECS.UMASS.EDU> X-VMS-To: IN%"chemistry # - at - # www.ccl.net" MIME-version: 1.0 Content-transfer-encoding: 7BIT I am seeking the formulas for the Becke 1988 nonlocal exchange potential for the nonlocal exchange energy functional proposed in the paper Becke, A. D., "Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior," Phys. Rev. A, 38(6), 3098-3100 (1988). I have attempted to derive the nonlocal exchange potential by functional differentiation of the nonlocal exchange energy with respect to a particular spin density, and I would like to check my result. If this potential has been published, I would appreciate any references to it. I intend to summarize any answers. Sincerely, Perry Mar Department of Chemical Engineering E-mail: mar ":at:" ecs.umass.edu University of Massachusetts Phone: (413) 545-0770 Amherst, MA 01003-3110, USA Fax: (413) 545-1647