Dyall relativistic 5z basis sets for the s-block elements

This zip file contains the files of exponents of the quintuple-zeta (5z) basis sets for the elements of the s block, given in the format required by the Dirac program.

The elements covered are H, He, Li, Be, Na, Mg, K, Ca, Rb, Sr, Cs, Ba, Fr, Ra. Three types of basis set are provided. The dyall.v5z basis sets include correlating functions for the valence shell only (ns and np, where n is the principal quantum number) and the sub-valence n-1 shell. The dyall.cv5z basis sets include correlating functions for the n, n-1, and n-2 shells, and the dyall.ae5z basis sets include correlating functions for all shells. In addition, diffuse functions are added to these in the dyall.av5z, dyall.acv5z, and dyall.aae5z basis sets.