Structural and Electronic Properties of Gold Clusters

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dc.creatorAlamanova, Denitsa
dc.creatorDong, Yi
dc.creatorRehman, Habib ur
dc.creatorSpringborg, Michael
dc.creatorGrigoryan, Valeri G.
dc.date2006-04-03
dc.date.accessioned2026-07-07T07:05:13Z
dc.date.available2026-07-07T07:05:13Z
dc.descriptionWe study the structure and energetics of Au$_N$ clusters by means of parameter-free density-functional calculations ($N\le 8$), jellium calculations ($N\le 60$), embedded-atom calculations ($N\le 150$), and parameterized density-functional calculations ($N\le 40$) in combination with different methods for determining the structure of the lowest total energy. By comparing the results from the different approaches, effects due to geometric packing and those due to the electronic orbitals can be identified. Different descriptors that highlight the results of the analysis are presented and used.
dc.descriptionTo appear in Computing Letters
dc.identifierhttps://arxiv.org/abs/cond-mat/0604042
dc.identifierhttp://arxiv.org/abs/cond-mat/0604042
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/109593
dc.subjectMesoscale and Nanoscale Physics
dc.titleStructural and Electronic Properties of Gold Clusters
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