The electron configuration-lattice approach, briefly summarized here, is applied to calculating the unoccupied part of the adsorbate density of states for hydrogen adsorbed on a nearly filled, narrow-band metal surface. The method gives, as well, the quasiparticle wave functions associated with the density-of-states maxima, which allows us to analyze their configurational composition and therefore follow in detail any charge-transfer processes which may be taking place. Comparison with inverse-photoemission spectra of hydrogen adsorbed on nickel shows good agreement near the Fermi level despite the featureless, semielliptical density of states adopted to describe the electronic structure of the metal surface.

• Received 27 September 1989

DOI:https://doi.org/10.1103/PhysRevB.41.7856