Abstract
Applications of the density functional theory to the electronic structure of bare metal surfaces and metal surfaces with adsorbed atoms are reviewed and their usefulness and limitations are discussed. Also included are brief descriptions of some ongoing work on improvement of the underlying approximations and of an adaptation of the Green’s function (KKR) method to the geometry of a film.
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© 1975 Plenum Press, New York
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Kohn, W. (1975). Density Functional Theory of Metal Surfaces and of Chemisorption on Metals. In: Drauglis, E., Jaffee, R.I. (eds) The Physical Basis for Heterogeneous Catalysis. Battelle Institute Materials Science Colloquia, vol 30. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-8759-0_14
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DOI: https://doi.org/10.1007/978-1-4615-8759-0_14
Publisher Name: Springer, Boston, MA
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