Relativistic basis


Click here for full thread
Clicked A Few Times
12:41:34 PM PDT - Mon, Apr 29th 2013
Hi all,

Anyone know any proper basis for relativistic calculations, which can be used directly by the NWChem?

The basis Dyall. * (V2z, v3z, v4z and others) can be used? Any more?

Thanks,
André Luiz Fassone Canova