Subject: Gaussian : Charge and potential energy matrix

From: "A. Boufarik" <aboufer2000|at|yahoo.ca>
Date: Fri, 22 Oct 2004 15:49:39 -0400 (EDT)

Hi all,
 
I am trying to understand how the charge keyword works in particular the meaning of Potential Energy Matrix tha G03 outputs when IOp(3/33=1) is requested.
 
It does not seem to correspond to < X_i  | 1 / |r - x| | X_j >. In fact, if this were the case then using a positive and negative charge should produce the same matrix (within a sign). 
 
Any comment as for the meaning of Potential Energy Matrix ?
 
Cheers
 
Boufarik

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