Local models for the interaction of adsorbates with surfaces |
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Authors: | K Hermann P S Bagus |
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Institution: | (1) Institut für Theoretische Physik, Technische Universität Clausthal and Sonderforschungsbereich 126, D-3392 Clausthal-Zellerfeld, Fed. Rep. Germany;(2) IBM Almaden Research Center, 95120-6099 San Jose, CA, USA |
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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. |
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Keywords: | 73 20 -r 71 45 Nt 31 20 Ej |
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