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Titel: Electronic structure calculations of small AI_n (n = 2 - 8) clusters
Autor(en): Bastug, TurgutSepp, Wolf-DieterFricke, BurkhardHeinemann, DirkKolb, Dietmar
Klassifikation (DDC): 530 - Physik (Physics)
Issue Date: 1992
Zitierform: In: Zeitschrift für Physik / D, Atoms, molecules and clusters. Berlin [u.a.] : Springer. 22 (1992), S. 641-644
Zusammenfassung: The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.
URI: urn:nbn:de:hebis:34-2008080123002
ISSN: 0722-32770178-7683
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