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

Donald E Ellis

doi:10.1002/qua.560260821

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

Donald E Ellis^*

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	183-193
Number of pages	11
Journal	International Journal of Quantum Chemistry
Volume	26
Issue number	18 S
DOIs	https://doi.org/10.1002/qua.560260821
State	Published - Jan 1 1984

ASJC Scopus subject areas

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

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10.1002/qua.560260821

Cite this

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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.",

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AB - 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.

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

Abstract

ASJC Scopus subject areas

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