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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 G0W0 approach. We
find that G0W0 is the best approach and correctly describes the first
ionization potential with an accuracy of about 0.1 eV.Comment: 6 pages, 1 figur