A localized spin-orbital theory of chemisorption

A many-electron theory of chemisorption is described and illustrated by a model calculation, for a hydrogen atom bonded to a lithium metal surface. A basis of atomic spin—orbitals is used to describe the many-electron states of this system, as is done in valence bond calculations for molecules. Thes...

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Veröffentlicht in:Solid state communications 1982-01, Vol.41 (8), p.605-608
Hauptverfasser: Parry, D.E., Whitehead, M.A.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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