Improved Roothaan-Hartree-Fock wavefunctions for isolectronic series of the atoms He to Ne

Improved Roothaan-Hartree-Fock (RHF) wavefunctions are reported for the neutral and the first 20 cationic members of the isoelectronic series of each ground state atom from He to Ne. Improved numerical Hartree-Fock (NHF) energies are also reported for these species because the literature NHF energies are found to be insufficiently accurate. The energies of our wavefunctions are no more than 1 μHartree above the corresponding NHF energies. Moreover, our RHF wavefunctions are designed 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 properties across these isoelectronic series. (Author)