SARC-ZORA @ nwchem 6.0


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Hi Elvis,

The basis sets in question have been published by Pantazis and Neese, http://dx.doi.org/10.1021/ct100736b. The abstract states that these are all electron basis sets for actinides to be used with scalar relativistic density functional theory. As far as I know scalar relativistic ZORA is available in NWChem 6.0 so you should be fined.

Huub