re:CCL:Some questions on the QEq charge model

From: Guosheng Wu <wu_guosheng2002..at..yahoo.com>
Subject: re:CCL:Some questions on the QEq charge model
Date: Tue, 2 Nov 2004 14:09:22 -0800 (PST)

Thanks a lot for your response.
 I guess you are only talking about the Shielding Corrections of the QEq
 model, not the main component of the methodology.
 -Guosheng
 --- jmmckel..at..attglobal.net wrote:
 > Am I completely mistaken that this method is just an approach to the SCF
 >
 > solution of the two-electron contribution to the Fock matrix of the CNDO
 >
 > method?  [I posed this question to Goddard and he agreed.]
 >
 > If the above is correct, then one has to decide on the reliability of
 > the
 > CNDO method, and then remove the one-electron Hamiltonian from the
 > method, and then decide on the reliability of the results ...
 >
 > John McKelvey
 >
 >
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