Recent Progress in the Computational Many-Body Theory of Metal Surfaces

Details Recent Progress in the Computational Many-Body Theory of Metal Surfaces Recent Progress in the Computational Many-Body Theory of Metal Surfaces

2000-12-07

arxiv.org/abs/cond-mat/0012116v1

Comput. Phys. Commun. 137, 123 (2001)

Physics

Condensed Matter

Materials Science

17 pages, 1 figure, to appear in Comput. Phys. Commun

Scientific paper

10.1016/S0010-4655(01)00175-8

In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to ground and excited states. We discuss the exchange-correlation hole, the surface energy, and the work function of jellium surfaces, as obtained within the random-phase approximation, a time-dependent density-functional approach, and quantum Monte Carlo methods. We also present a survey of recent quasiparticle calculations of unoccupied states at both jellium and real surfaces.

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