Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory

We present a theoretical study of the ionization potential in small anionic gold clusters, using density functional theory, with and without exact-exchange, and many body perturbation theory, namely the G(0)W(0) approach. We find that G(0)W(0) is the best approach and correctly describes the first ionization potential with an accuracy of about 0.1 eV.