CCL:G: hermiticity of the one electron integral matrix
- From: "Shuwen yao"
<lilichemistry{:}yahoo.com>
- Subject: CCL:G: hermiticity of the one electron integral
matrix
- 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