Local density studies on transition‐metal clusters, surfaces, and the oxide defect state

Donald E Ellis*

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

Aspects of recent local density (LD) studies on transition‐metal clusters, surface complexes, and oxide defect structures are presented. The evolution of the LD theory as a reliable means of predicting spectroscopic and structural properties of transition‐metal systems is explored. As specific examples we consider the magnetic impurity problem, the chemisorption of simple molecules, and the effect of oxide vacancies on x‐ray absorption cross sections.

Original languageEnglish (US)
Pages (from-to)183-193
Number of pages11
JournalInternational Journal of Quantum Chemistry
Volume26
Issue number18 S
DOIs
StatePublished - Jan 1 1984

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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