| Abstract: | Slater-type orbitals (STO s) with a single-exponent by shell or by subshell have been constructed to reduce the number of integrals evaluated in the electronic calculations. The expansion of orbitals in these new basis sets has been carried out in detail for the ground state of the Ne atom. We have carried out a study of STO basis sets with a different size for this atom that could help to propose empirical rules for the selection of these basis sets for other atoms. The usefulness of STO s with single-exponent by shell and subshell and the splitting of s and p functions are discussed. © 1994 John Wiley & Sons, Inc. |
