Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/12365
DC Field | Value | Language |
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dc.contributor.author | Seidl, Michael F | - |
dc.contributor.author | Perdew, John P. | - |
dc.contributor.author | Brajczewska, Marta | - |
dc.contributor.author | Fiolhais, Carlos | - |
dc.date.accessioned | 2010-01-29T15:22:51Z | - |
dc.date.available | 2010-01-29T15:22:51Z | - |
dc.date.issued | 1998-05-15 | - |
dc.identifier.citation | Journal of Chemical Physics. 108:19 (1998) 8182-8189 | en_US |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | https://hdl.handle.net/10316/12365 | - |
dc.description.abstract | We report the first reliable theoretical calculation of the quantum size correction c which yields the asymptotic ionization energy I(R) = W + ((1/2) + c)/R + O(R–2) of a simple-metal cluster of radius R. Restricted-variational electronic density profiles are used to evaluate two sets of expressions for the bulk work function W and quantum size correction c: the Koopmans expressions, and the more accurate and profile-insensitive Delta SCF expressions. We find c [approximate] –0.08 for stabilized (as for ordinary) jellium, and thus for real simple metals. We present parameters from which the density profiles may be reconstructed for a wide range of cluster sizes, including the planar surface. We also discuss how many excess electrons can be bound by a neutral cluster of given size. Within a continuum picture, the criterion for total-energy stability of a negatively charged cluster is less stringent than that for existence of a self-consistent solution | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Institute of Physics | en_US |
dc.rights | openAccess | en_US |
dc.title | Ionization energy and electron affinity of a metal cluster in the stabilized jellium model: Size effect and charging limit | en_US |
dc.type | article | en_US |
uc.controloAutoridade | Sim | - |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
crisitem.author.dept | Faculty of Pharmacy | - |
crisitem.author.researchunit | CNC - Center for Neuroscience and Cell Biology | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.orcid | 0000-0003-4237-824X | - |
crisitem.author.orcid | 0000-0002-1527-0738 | - |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Ionization energy and electron affinity.pdf | 159.34 kB | Adobe PDF | View/Open |
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