Local models for the interaction of adsorbates with surfaces

Abstract

Local models on the basis of the surface cluster approach have been applied extensively in the study of surface and adsorbate systems. The energetic details of the adsorbate-substrate interaction can be characterized in these models by the constrained space orbital variation (CSOV) method. This method allows a detailed study of adsorbate binding in different surface sites. Further, consequences of the chemisorptive interaction for adsorbate valence photoemission and vibrational properties of adsorbed molecules can be studied. © 1987 Springer-Verlag.