Subject: About semi empirical energies in gaussian

From: Thomas Lorenzen <[email-masked]>
Date: Tue, 4 Dec 2001 11:51:08 +0100 (CET)

Hi'

   In gaussian 94 and gaussian 98 semi empirical
calculations such as AM1 or PM3 produces energies as defined
by the AM1 or PM3 semi empirical method. So it says in the
manual along with the statement, that energy differences
using the same method are in hartrees. However, does anybody
have a clue about, where to actually find the total energy
of a semi empirical calculation, or put in other words, what
does it mean, that the energy is defined by the AM1 or PM3
semi empirical method.

   Best Regards.

     Thomas.

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Cand. Scient. Thomas Lorenzen               Phone : (+ 45) 35 32 02 50
Department of Chemistry                       Fax : (+ 45) 35 32 02 59
University of Copenhagen                     Mail : [email-masked]
DK, 2100 Copenhagen, Denmark   Homepage : http://theochem.ki.ku.dk/~tl
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