1304.4355 (A. Tanwar et al.)

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

A. Tanwar, E. Fabiano, P. E. Trevisanutto, L. Chiodo, F. Della Sala

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.

View original: http://arxiv.org/abs/1304.4355