Valence in chemisorption studies

Document Type

Article

Publication Date

7-31-1992

Department

Department of Physics

Abstract

In the spirit of Coulson's Valence, large-scale ab initio computations on chemisorption problems are revisited. Cluster calculations which model the interactions of halogen atoms with the silicon surface are reviewed and compared to the interaction of atomic hydrogen on the same surface. A rich structure in bonding mechanisms is revealed. They range from ionic to covalent wavefunctions and exhibit the "primitive pattern of understanding" Coulson so strongly believed in.

Publication Title

Journal of Molecular Structure: THEOCHEM

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