From owner-chemistry@ccl.net Tue Aug 19 06:49:00 2008 From: "Shuwen yao lilichemistry]~[yahoo.com" To: CCL Subject: CCL:G: hermiticity of the one electron integral matrix Message-Id: <-37578-080819064203-21622-5njALMJTk0hDCEgRbSosqQ ~ server.ccl.net> X-Original-From: "Shuwen yao" Date: Tue, 19 Aug 2008 06:42:00 -0400 Sent to CCL by: "Shuwen yao" [lilichemistry**yahoo.com] As is well known, the kinetic or potential energy matrix of one electron integral on the gaussian output is a symmetric one, which may be rationalized by the hermiticity of the operator. But I really can not understand it mathematically,say, for any two different functions f1 and f2,i doubt the following quation holds always interal of f1*d/d2(f2)=integral of f2*d/d2(f1) it will be appreciated very much if you could show me a way out