  We propose large-core correlation-consistent pseudopotential basis sets for
the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and
cc-pVQZ quality, and have been optimized for use with the large-core
(valence-electrons only) Stuttgart-Dresden-Bonn relativistic pseudopotentials.
Validation calculations on a variety of third-row and fourth-row diatomics
suggest them to be comparable in quality to the all-electron cc-pVTZ and
cc-pVQZ basis sets for lighter elements. Especially the SDB-cc-pVQZ basis set
in conjunction with a core polarization potential (CPP) yields excellent
agreement with experiment for compounds of the later heavy p-block elements.
For accurate calculations on Ga (and, to a lesser extent, Ge) compounds,
explicit treatment of 13 valence electrons appears to be desirable, while it
seems inevitable for In compounds. For Ga and Ge, we propose correlation
consistent basis sets extended for (3d) correlation. For accurate calculations
on organometallic complexes of interest to homogenous catalysis, we recommend a
combination of the standard cc-pVTZ basis set for first- and second-row
elements, the presently derived SDB-cc-pVTZ basis set for heavier p-block
elements, and for transition metals, the small-core [6s5p3d] Stuttgart-Dresden
basis set-RECP combination supplemented by (2f1g) functions with exponents
given in the Appendix to the present paper.
