MS‐Xα calculations of the electron affinities and ionization potentials of some heavy metals and their hydrides and fluorides

Abstract

AbstractMS‐Xα calculations have been performed for the neutral species and the transition states for the positive and negative ions of the heavy metal atoms Mo, W, Re, Ir, Pt, and U and their diatomic hydrides and fluorides. Both nonspin‐polarized and spin‐polarized calculations were performed. The main purpose of this study was to gain insight into which negative ion species might be preferable to try to prepare for use in ion sources for tandem accelerators.