Some applications of the density-functional formalism to chemisorption

A brief account is given of an ongoing program aiming at the theoretical description of the static and dynamic aspects of the adsorption of atoms and molecules on metal surfaces. The main features of the calculational method and the models used are discussed, as well as some characteristic properties of and trends in the adsorbate-induced electron-structure. Potential-energy curves of simple atomic molecular species on free-electron-like metals are reviewed, together with a conceptual picture of the bond-weakening of molecules on metal surfaces. The effective-medium scheme is described, and applications to transition-metal substrates are also described. The paper is concluded with some perspectives on this kind of approach to chemi-sorption theory