CCL: Basis set result quality, MB+polar vs DZ
- From: "Jim Kress"
<ccl_nospam{:}kressworks.com>
- Subject: CCL: Basis set result quality, MB+polar vs DZ
- Date: Wed, 14 Sep 2005 01:41:26 -0400
Sent to CCL by: "Jim Kress" [ccl_nospam{:}kressworks.com]
Has anyone a reference to any articles, or any factual information
concerning, the quality of results for geometry optimization obtained using
a minimal basis set plus polarization functions versus that obtained using a
double zeta basis with no polarization functions? I am particularly
interested in organometallic species.
Any assistance would be appreciated. I'll post a summary of responses to
the list.
Jim Kress