CCL: All-electron basis sets for actinides
- From: Stephen.Garrison__srnl.doe.gov
- Subject: CCL: All-electron basis sets for actinides
- Date: Wed, 8 Apr 2009 16:37:06 -0400
Does anyone know of a published, all-electron
basis set for actinide elements, especially uranium and plutonium? The
EMSL library only seems to have Effective Core Potential (ECP) basis
sets.
Thanks.
--
Stephen L. Garrison, Ph.D.
Senior Engineer
Engineering Modeling and Simulation
Savannah River National Laboratory
Savannah River Site
773-42A, Room 181
Aiken, SC 29808
803-725-2404
Stephen.Garrison^^SRNL.doe.gov