CONTRACTED POLARIZATION FUNCTIONS FOR THE ATOMS HELIUM THROUGH NEON

Contracted Gaussian-type function sets are proposed for polarization f unctions of the atoms helium through neon, with the exception of lithi um. A segmented contraction scheme is used for its compactness and com putational efficiency. The contraction coefficients and orbital expone nts are fully optimized to minimize the difference from accurate atomi c natural orbitals. The present polarization functions yield more than 99% of atomic correlation energies predicted by accurate natural orbi tals of the same size.