The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

Small- and medium-core pseudopotentials representing Ar3d10- and Kr-like cores, respectively, have been adjusted for the In atom, supplementing the energy-consistent three-valence-electron large-core (Kr4d10 core) pseudopotential of the Stuttgart group. The performance of these potentials is tested against those of other groups and against experiment, in calculations for the ground-state potential curves of InH, InF, and InCl, both at the self-consistent-field and correlated levels. The role of the core size is discussed, and systematic errors of large- and medium-core pseudopotentials are analyzed.