STANDARDIZED BASIS-SETS FOR HIGH-LEVEL-CORRELATED RELATIVISTIC CALCULATIONS OF ATOMIC AND MOLECULAR ELECTRIC PROPERTIES IN THE SPIN-AVERAGED DOUGLAS-KROLL APPROXIMATION .2. GROUPS IA AND IIA

The technique previously developed for the generation of the so-called first-order polarized basis sets for accurate non-relativistic calcul ations of molecular electric properties is used to obtain similar basi s sets suitable for calculations in the Douglas-Kroll no-pair approxim ation. The corresponding (relativistic) basis sets are constructed for atoms of groups Ia and IIa of the Periodic Table and tested in calcul ations of atomic and ionic polarizabilities. Also the first ionization potential of the group Ia and the first and second ionization potenti al of the group IIa metals have been evaluated to provide additional q ualification of the generated basis sets. The present results are comp ared with earlier nonrelativistic and quasirelativistic data and the r ole of the relativistic effect is discussed.