CCL: basis sets updates
- From: "Florian Janetzko"
<f.janetzko/a\ucalgary.ca>
- Subject: CCL: basis sets updates
- Date: Thu, 1 Feb 2007 12:57:17 -0500
Sent to CCL by: "Florian Janetzko" [f.janetzko||ucalgary.ca]
Dear Reynier,
> I would like to know about recent updates for the following basis sets:
TZVP,
> EPR-II, EPR-III, aug-cc-pVTZ-J.
> best
> reynier
Recently, we have optimized the DZVP and TZVP basis sets with the PW86
functional and applied them in a study of different 3d transition metal
compounds (J.Chem.Phys. 126, 044108 (2007)). The new GGA optimized basis sets
(called DZVP-GGA and TZVP-GGA) can be downloaded at:
http://www.demon-software.com/public_html/download.htmlbasissets.
Cheers,
Florian.
--
Dr. Florian Janetzko
Department of Chemistry
University of Calgary
2500 University Drive NW
Calgary, AB, T2N 1N4
Canada
email: f.janetzko-#-ucalgary.ca