MOLPRO Basis Query, basis=def2-AQZVPP-JFIT
Notes:
- The JFIT sets for all basis sets are identical.
(Universal JFIT sets)
- The ASVP/ATZVPP/AQZVPP sets are generated from the SVP/TZVPP/
QZVPP sets by adding one set of even tempered diffuse functions.
- The previous version of this file, which was generated from the
Turbomole website output on 11/2009, contained errors. These were
mainly accidental de-contractions of the last contracted function
per angular momentum. This might have made calculations slightly
more expensive, but effects on calculated energies should be low.
- Gerald Knizia, 2011-03-31
Updates:
- Added def2/JFIT basis sets for Lanthanides from
Gulde, Pollak, Weigend: J. Chem. Theory Comput., 8, 4062 (2012)
- Gerald Knizia, 2016-05-13.