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Article: Convergent N2-scaling iterative method of photoelectron diffraction and low-energy electron diffraction for ordered or disordered systems

TitleConvergent N2-scaling iterative method of photoelectron diffraction and low-energy electron diffraction for ordered or disordered systems
Authors
KeywordsPhysics
Issue Date1999
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B - Condensed Matter And Materials Physics, 1999, v. 59 n. 3, p. 1657-1660 How to Cite?
AbstractWe present results of a convergent iterative method of photoelectron diffraction and low-energy electron diffraction. The computation time of this method scales as N2, where N is the dimension of the propagator matrix, rather than N3 as in conventional Gaussian substitutional methods. We show that the Rehr-Albers separable-representation cluster approach or slab-type nonseparable methods can all be cast in this iterative form. The convergence of this method is demonstrated for different materials. With the substantial savings in computational time and no loss in numerical accuracy, this method will be very useful in future applications of multiple-scattering theory, particularly for systems either involving very large unit cells (200-700 atoms) or where no long-range order is present. ©1999 The American Physical Society.
Persistent Identifierhttp://hdl.handle.net/10722/43262
ISSN
2001 Impact Factor: 3.07
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWu, Hen_HK
dc.contributor.authorTong, SYen_HK
dc.date.accessioned2007-03-23T04:42:25Z-
dc.date.available2007-03-23T04:42:25Z-
dc.date.issued1999en_HK
dc.identifier.citationPhysical Review B - Condensed Matter And Materials Physics, 1999, v. 59 n. 3, p. 1657-1660en_HK
dc.identifier.issn0163-1829en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43262-
dc.description.abstractWe present results of a convergent iterative method of photoelectron diffraction and low-energy electron diffraction. The computation time of this method scales as N2, where N is the dimension of the propagator matrix, rather than N3 as in conventional Gaussian substitutional methods. We show that the Rehr-Albers separable-representation cluster approach or slab-type nonseparable methods can all be cast in this iterative form. The convergence of this method is demonstrated for different materials. With the substantial savings in computational time and no loss in numerical accuracy, this method will be very useful in future applications of multiple-scattering theory, particularly for systems either involving very large unit cells (200-700 atoms) or where no long-range order is present. ©1999 The American Physical Society.en_HK
dc.format.extent121041 bytes-
dc.format.extent29184 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physicsen_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.rightsPhysical Review B (Condensed Matter and Materials Physics). Copyright © American Physical Society.en_HK
dc.subjectPhysicsen_HK
dc.titleConvergent N2-scaling iterative method of photoelectron diffraction and low-energy electron diffraction for ordered or disordered systemsen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=59&issue=3&spage=1657&epage=1660&date=1999&atitle=Convergent+N2-scaling+iterative+method+of+photoelectron+diffraction+and+low-energy+electron+diffraction+for+ordered+or+disordered+systemsen_HK
dc.identifier.emailWu, H: hswu@hkucc.hku.hken_HK
dc.identifier.authorityWu, H=rp00813en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.59.1657en_HK
dc.identifier.scopuseid_2-s2.0-0000472890en_HK
dc.identifier.hkuros39519-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000472890&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume59en_HK
dc.identifier.issue3en_HK
dc.identifier.spage1657en_HK
dc.identifier.epage1660en_HK
dc.identifier.isiWOS:000078291000028-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridWu, H=7405584367en_HK
dc.identifier.scopusauthoridTong, SY=24512624800en_HK

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