Shell structure of electronic states of Cu clusters View Full Text


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Article Info

DATE

1989-03

AUTHORS

T. Yamaguchi, N. Fujima

ABSTRACT

Electronic states of icosahedral Cu13 and Cu12 clusters were calculated by the DV-Xα method which took into account of many-electron effects. The valence 3d orbitals are localized within atom and isolated from the valence 4s orbitals extended over the whole cluster. The characteristic feature of the states ofs valence electrons of Cu13 cluster well corresponds to that of one-electron picture i.e. the shell model of the 3-dimensional isotropic harmonic oscillator potential. Electronic states of valence levels of Cu12 cluster which have no central atom fairly well correspond to those of a combined potential of the harmonic oscillator and a 3-dimensional Gaussian potential barrier at the center of the cluster. More... »

PAGES

369-371

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf01426974

DOI

http://dx.doi.org/10.1007/bf01426974

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1046548437


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