Numerical Hartree–Fock energies of singly charged cations and anions with N≤54

Numerical Hartree–Fock (NHF) calculations have been performed for the singly charged cations Li+–Cs+ and anions H−–I− in their ground states. For the cations, the NHF values in the literature are found to be insufficiently accurate, while for the anions our NHF study covers the whole series H−–I− (except Sc− and Pd−) for the first time. Atomic ionization potentials and electron affinities are computed and compared with experiment.