CCL:G: g03 ab initio heavy atoms
- From: "William Griffin"
<wogriffin]~[ualr.edu>
- Subject: CCL:G: g03 ab initio heavy atoms
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