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LDA electronic structure calculations on Au13 cluster

✍ Scribed by L. Lamare; F. Michel-Calendini

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
156 KB
Volume
61
Category
Article
ISSN
0020-7608

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✦ Synopsis

The electronic structure of the cubo-octahedral Au cluster was investigated within a 13 self-consistent molecular-orbital Slater-type-orbital framework. The scalar relativistic Ε½ . calculated density of states DOS for the gold cluster under consideration show relatively similar features to those obtained experimentally or theoretically earlier calculated by fully relativistic methods.

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