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  Electronic shell structure and metal clusters: the self-consistent spheroidal jellium model

Penzar, Z., & Ekardt, W. (1990). Electronic shell structure and metal clusters: the self-consistent spheroidal jellium model. Zeitschrift für Physik D, 17(1), 69-92. doi:10.1007/BF01437500.

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Penzar, Z.1, Autor           
Ekardt, Walter2, Autor           
Affiliations:
1Fritz Haber Institute, Max Planck Society, ou_24021              
2Physical Chemistry, Fritz Haber Institute, Max Planck Society, ou_634546              

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 Zusammenfassung: The electronic properties of small metal particles within the recently proposed self-consistent spheroidal jellium model [1] are further explored and compared to recent experimental data. Physical properties investigated include ionization potentials, electron affinities and the binding energy of neutral monomers to cationic clusters. The formalism is applied within the size-range 2≦N≦41, but could easily be extended beyondN=41. Finally, we discuss briefly the implications for the study of the dynamical response of open-shell clusters. In sharp contrast to earlier studies the functional is now corrected for self-interaction error, in a way first proposed by Pedew and Zunger [2]. This enables us to calculate reliable values for the electron affinities within ajellium-based model. This has the advantage, that we can calculate the affinities for Cu for all particle numbers for which experimental data are available. In all cases investigated we obtain excellent agreement with experiment, with pronounced shell-effects both for the electron affinities and for the binding energies, confirming in this way that the abundances map the relative stability of (Me)N clusters, with Me being a sp-metal atom (Na, K, Li, Cu, Ag, Au etc.).

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Sprache(n): eng - English
 Datum: 1990-05-251990
 Publikationsstatus: Erschienen
 Seiten: 4
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1007/BF01437500
 Art des Abschluß: -

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Titel: Zeitschrift für Physik D
  Andere : Zeitschrift für Physik D Atoms, Molecules and Clusters
Genre der Quelle: Zeitschrift
 Urheber:
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Ort, Verlag, Ausgabe: Springer
Seiten: 4 Band / Heft: 17 (1) Artikelnummer: - Start- / Endseite: 69 - 92 Identifikator: ISSN: 1431-5866
CoNE: https://pure.mpg.de/cone/journals/resource/1431-5866