From owner-chemistry@ccl.net Fri Feb  3 16:25:00 2006
From: "William Griffin wogriffin#,#ualr.edu" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL:G: g03 ab initio heavy atoms
Message-Id: <-30780-060203151406-3812-jJeaYDk1EF2KHbBnoRYBSw**server.ccl.net>
X-Original-From: "William  Griffin" <wogriffin]~[ualr.edu>


Sent to CCL by: "William  Griffin" [wogriffin-*-ualr.edu]
Hi, I've been tinkering with this for a while in my grad studies, and I was hoping the CCL community could help.  I'm trying to model some small clusters (1-3 atoms) of heavy atoms (Mg through about U) with an ab initio method (B3PW91) and I'm figuring my basis set is what's leading me astray.  Any suggestions on ab initio methods/ heavy atom basis sets with gaussian 03?  I'm not in love with B3PW91, either.

Thanks.

William Griffin