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Exact-exchange Kohn-Sham potential, surface energy, and work function of jellium slabs
(American Physical Society, 2008-08)
Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work function of jellium slabs are reported in the framework of the optimized effective potential (OEP) scheme of density functional ...
Energy loss of charged particles moving parallel to a magnesium surface
(American Physical Society, 2008-10)
We present it ab initio calculations of the electronic energy loss of charged particles moving outside a magnesium surface, from a realistic description of the one-electron band structure and a full treatment of the dynamical ...