Abstract
AbstractBalanced atomic basis sets, at the double‐zeta level with d functions, have been developed for the elements LiAr within the relativistic effective core potential procedure. The number of primitive functions, their orbital exponents, and the number of contractions were chosen for use in both Hartree–Fock and correlated calculations. Spin‐orbit splittings have been obtained using the approximate operator corresponding to relativistic effective potentials and are compared with experimental values.
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