Nonlocal-density-functional theory of inhomogeneous electron gas: Metal surface

摘要: We develop a theoretical framework within the density-functional formalism in which nonlocal character of exchange and correlation potential is appropriately taken into account description an inhomogeneous many-electron system near metal surface. The proposed scheme sufficiently simple so that self-consistent calculations electron density associated surface quantities such as energy work function can be practically carried out; validity accuracy approximations introduced for simplification are examined ascertained with aid exact sum rules. In process we derive useful analytic expression radial distribution electrons at metallic densities.