IMPROVED ROTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR ISOELECTRONIC SERIESOF THE ATOMS HE TO NE

Improved Roothaan-Hartree-Fock (RHF) wavefunctions are reported for th e neutral and the first 20 cationic members of the isoelectronic serie s of each ground state atom from He to Ne. Improved numerical Hartree- Fock (NHF) energies are also reported for these species because the li terature NHF energies are found to be insufficiently accurate. The ene rgies of our RHF wavefunctions are no more than 1 mu Hartree above the corresponding NHF energies. Moreover, our RHF wavefunctions are desig ned carefully so that they behave smoothly as a function of the atomic number Z. Thus, they are very well suited for studies of changes in p roperties across these isoelectronic series.