Aims and recent accomplishments of surface theory

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Abstract
The goals of surface science include the understanding of surface bonding, structure, transport, and chemistry. However, our present activities are mainly focused on the most basic problem, viz., what are the constituents of a given surface, where are they located and how are they bonded? Theorists are approaching this surface characterization problem from two sides. To make better use of the data available from the many experimental surface probes, we are developing an understanding of the force laws which govern the motion of probe particles near surfaces, and we are studying intensively the relation between the excitation and ground state spectra of a solid. In order to develop a predictive capability regarding surface structure, we are studying a variety of intrinsic surface properties including the nature of bonds at transition metalsurfaces, the meaning of bond locality in extended systems, and generally the electronic factors underlying the forces which govern surface geometry. These studies often raise technical issues such as the validity of using local exchange correlation potentials and the applicability of cluster calculations to the analysis of extended surface situations, which, however, should not obscure the main thrust of current work — empirical and predictive surface structure determination. These points will be illustrated with examples from recent research and ways in which experimental surface work might assist theoretical efforts will be indicated.

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