The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se and Br.

The aug-cc-pVTZ-J basis set family is extended to include the fourth row p-block elements Ga, Ge, As, Se and Br.
We use the established approach outlined by Sauer and co-workers [J. Chem. Phys. 115, 1324 (2001), J. Chem. Phys. 133, 054308 (2010), J. Chem. Theory Comput. 7, 4070 (2011), J. Chem. Theory Comput. 7, 4077 (2011)] where the completely uncontracted aug-cc-pVTZ basis set is saturated with tight s-, p-, d- and f-functions to form the aug-cc-pVTZ-Juc basis set for the tested elements.
The saturation is carried out on the simplest hydrides possible for the tested elements GaH, GeH₄, AsH₃, H₂Se and HBr until an improvement is less than 0.01 % for all s-, p-, d- and f-functions added. f-functions are added to an improvement less than or equal to 1.0 % due to the computational expense these functions add.
The saturated aug-cc-pVTZ-Juc is (26s16p12d5f) is then re-contracted using the molecular orbital coefficients from self-consistent field calculations on the simple hydrides to improve computational efficiency.
During contraction of the basis set, we observe that the linear hydrogen bromide molecule has a slower convergence than the other tested molecules which sets a limit on the accuracy obtained.
All calculations with the contracted aug-cc-pVTZ-J [17s10p7d5f] gives results that are within 1.0 % of the uncontracted results at considerable computational savings.