9.7 A Brief Guide to Q-Chem’s Built-In ECPs

9.7.8 The Karlsruhe “def2” ECP at a Glance

For elements Rb–Rn (not including the lanthanides), all the Karlsruhe “def2" basis sets are paired with a common set of ECPs.961 It is briefly summarized in the table below (the number of valence basis functions depend on the basis set in use so it is not presented):

Element Core Max Projector
H–Kr none none
Rb–Xe [Ar]+3d D
Cs–La [Kr]+4d D
Hf–Rn [Kr]+4d+4f D