CCL:G: hermiticity of the one electron integral matrix



 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>
 >