[molpro-user] Density fitting basis sets

Gregersen, Brent Brent.Gregersen at DEShawResearch.com
Fri May 2 14:01:50 BST 2008

Is there a referece describing how the JKFIT basis sets were

Also, there dosent appear to be any JKFIT basis sets defined for alkali,
alkaline or transition metals or nobel gases. Is it possible to run
df-hf calculations on mixed systems that may contain these elements (by
using a non-JKFIT basis for them), and if so, how can that be


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