From owner-chemistry@ccl.net Wed Aug 20 10:26:00 2008
From: "Yonggang Yang ygyang__chemie.fu-berlin.de" <owner-chemistry,,server.ccl.net>
To: CCL
Subject: CCL:G: hermiticity of the one electron integral matrix
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X-Original-From: Yonggang Yang <ygyang|*|chemie.fu-berlin.de>
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Date: Wed, 20 Aug 2008 11:26:09 +0200
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Sent to CCL by: Yonggang Yang [ygyang=chemie.fu-berlin.de]
The equation is not correct for arbitrary functions. But it is correct
for any functions in the Hilbert space--square integrable functions. In
a simple way the function value should go to zero when one of the
coordinate is infinity. 

On Tue, 2008-08-19 at 06:42 -0400, Shuwen yao lilichemistry]~[yahoo.com
wrote:
> 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> 
>