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Updated def2 basis sets

The partially augmented Turbomole basis sets def2-SVPD, def2-TZVPD, and def2-QZVPPD (Rappoport, Furche: J. Chem. Phys. 133, 134105 (2010)) have been added to the library. Additionally, the recently developed dhf- variants of the def2- basis sets have been included (dhf-SVP, dhf-TZVPP, ..., Weigend, Baldes: J. Chem. Phys. 133, 174102 (2010)); these are reoptimized versions for the more modern MDF effective core potentials (most elements used MDF ECPs already in def2- and are unchanged). Short names like TZVPP (without prefix) now refer to dhf- basis sets.



molpro@molpro.net 2017-12-11