Subject: polariz functions?

From: <[email-masked]>
Date: Tue, 10 Feb 1998 12:49:02 -0500 (EST)

Hello Everybody.  Does anyone have any opinion or
experience with the following problem:

I am trying to get an accurate description of the bonding
in ligated heavy alkaline earths.  Polarization functions,
or some sort of good quality augmented basis will be needed

The structures are unexpected, with anomalous bond angles
about the alkaline earth.

Does anybody have an opinion about the relative merits of
AM1, MNDO, and PM3 for this type of problem?

(We have good crystal geometries.  We are interested in
the bonding properties.)

Thanks in advance,

Mary Jo Ondrechen