Generalized simulated annealing: Application to silicon clusters

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dc.contributor.authorLemes, M. R.
dc.contributor.authorZacharias, C. R. [UNESP]
dc.contributor.authorDal Pino, A.
dc.contributor.institutionCtro. Tecn. da Aeronáutica
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-27T11:18:16Z
dc.date.available2014-05-27T11:18:16Z
dc.date.issued1997-10-15
dc.description.abstractWe have compared the recently introduced generalized simulated annealing (GSA) with conventional simulated annealing (CSA). GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin, n=4-7,10) as test cases. Total energies were calculated through tight-binding molecular dynamics. We have found that the replacement of Boltzmann statistics (CSA) by Tsallis's statistics (GSA) has the potential to speed up optimizations with no loss of accuracy. Next, we applied the GSA method to study the ground-state geometry of a 20-atom silicon cluster. We found an original geometry, apparently lower in energy than those previously described in the literature.en
dc.description.affiliationInst. Tecn. de Aeronáutica Ctro. Tecn. da Aeronáutica, Sao Jose dos Campos, 12228-900
dc.description.affiliationDepartment of Physics UNESP, Guaratinguetá, 12500-000
dc.description.affiliationUnespDepartment of Physics UNESP, Guaratinguetá, 12500-000
dc.format.extent9279-9281
dc.identifierhttp://dx.doi.org/10.1103/PhysRevB.56.9279
dc.identifier.citationPhysical Review B - Condensed Matter and Materials Physics, v. 56, n. 15, p. 9279-9281, 1997.
dc.identifier.doi10.1103/PhysRevB.56.9279
dc.identifier.file2-s2.0-0000355510.pdf
dc.identifier.issn0163-1829
dc.identifier.lattes9733039885138526
dc.identifier.orcid0000-0003-0409-0181
dc.identifier.scopus2-s2.0-0000355510
dc.identifier.urihttp://hdl.handle.net/11449/65209
dc.identifier.wosWOS:A1997YC39100026
dc.language.isoeng
dc.relation.ispartofPhysical Review B: Condensed Matter and Materials Physics
dc.relation.ispartofsjr1,176
dc.rights.accessRightsAcesso aberto
dc.sourceScopus
dc.titleGeneralized simulated annealing: Application to silicon clustersen
dc.typeArtigo
dcterms.licensehttp://publish.aps.org/authors/transfer-of-copyright-agreement
unesp.author.lattes9733039885138526[2]
unesp.author.orcid0000-0003-0409-0181[2]
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Engenharia, Guaratinguetápt

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Artigos - Física e Química - FEG