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https://hdl.handle.net/10316/12355
Title: | Comparison of the spherically averaged pseudopotential model with the stabilized jellium model | Authors: | Vieira, Armando Begoña Torres, M. Fiolhais, Carlos Carlos Balbás, L. |
Issue Date: | 1997 | Publisher: | Institute of Physics Publishing | Citation: | Journal of Physics B: Atomic, Molecular and Optical Physics. 30 (1997) 3583–3596 | Abstract: | We compare Kohn - Sham results (density, cohesive energy, size and effect of charging) of the spherically averaged pseudopotential model with the stabilized jellium model for clusters of sodium and aluminium with less than 20 atoms. We find that the stabilized jellium model, although conceptually and practically simpler, gives better results for the cohesive energy and the elastic stiffness. We use the local density approximation as well as the generalized gradient approximation for the exchange and correlation energies | URI: | https://hdl.handle.net/10316/12355 | ISSN: | 0953-4075 | DOI: | 10.1088/0953-4075/30/15/025 | Rights: | openAccess |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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Comparison of the spherically averaged pseudopotential model with the stabilized jellium model.pdf | 242.48 kB | Adobe PDF | View/Open |
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