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• W2004103885 abstract "Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of first row atoms on Ni(100) surfaces are presented. Energy levels and ground state charge distributions for XNiS clusters with the adatom X = H, C, N, O located in C4 V symmetry at a fixed height of h = 2.0 au above the surface are given. The variation of properties with h was studied in detail for the case of oxygen. Theoretical results compare rather well with experimental photoelectron and energy loss data. Local-densities-of-states diagrams are used to clarify the interaction between adsorbate levels and metal conduction bands." @default.
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• W2004103885 date "1976-01-01" @default.
• W2004103885 modified "2023-09-27" @default.
• W2004103885 title "Molecular cluster theory for chemisorption of first row atoms on nickel (100) surfaces" @default.
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• W2004103885 doi "https://doi.org/10.1016/0039-6028(76)90485-4" @default.
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