Hubbard's hamiltonian for chemisorption

The electronic structure and binding energy of the 5d transition atoms on (100)W have been calculated in the Hartree-Fock approximation using Hubbard's Hamiltonian to describe the surface molecule. The experimental binding energy trend is reproduced.

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Bibliographic Details
Published in:Physics letters. A 1971-01, Vol.37 (5), p.459-460
Main Authors: Grimley, T.B., Thorpe, B.J.
Format: Article
Language:English
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Summary:The electronic structure and binding energy of the 5d transition atoms on (100)W have been calculated in the Hartree-Fock approximation using Hubbard's Hamiltonian to describe the surface molecule. The experimental binding energy trend is reproduced.
ISSN:0375-9601
1873-2429
DOI:10.1016/0375-9601(71)90634-7