From ZOEBISCH@CRVAX.SRI.COM Tue May 4 09:08:43 1993 Date: Tue, 4 MAY 93 16:08:43 PDT From: ""Eve Zoebisch"" To: CHEMISTRY@ccl.net Subject: charges in semi-empirical methods Message-Id: <9879447.2237434688.ZOEBISCH@CRVAX.SRI.COM> In my experience, the charges in semi-empirical methods do not depend strongly on the geometry, but depend predominantly on the values of the one-electron integrals. The one-electron integrals in MNDO reproduce ab-initio results, hence the agreement noted by Dr. Smith. Eve Zoebisch