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Reaction of hydrogen with InP(100)4×2: Surface properties

✍ Scribed by F. Stietz; V. Persch; Th. Allinger; J.A. Schaefer; G.J. Lapeyre


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
470 KB
Volume
64-65
Category
Article
ISSN
0368-2048

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The adsorption of atomic hydrogen on the reconstructed Si ( lOO)-2 x I surface is studied using embedded Si clusters as models of an extended Si surface. Analytic gradients of generalized valence bond (GVB) wavefunctions are used to predict equilibrium structures and harmonic vibrational frequencies