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Article: Localized-density-matrix method and its application to nanomaterials

TitleLocalized-density-matrix method and its application to nanomaterials
Authors
Chen, GYokojima, SLiang, WWang, X
KeywordsChemistry engineering
Chemical engineering
Issue Date2000
PublisherInternational Union of Pure and Applied Chemistry. The Journal's web site is located at http://www.iupac.org/publications/pac/
Citation
Pure And Applied Chemistry, 2000, v. 72 n. 1-2, p. 281-291 How to Cite?
DOI: http://dx.doi.org/10.1351/pac200072010281
AbstractThe localized-density-matrix (LDM) method has been developed to calculate the excited state properties of very large systems containing thousands of atoms. It is particularly suitable for simulating the dynamic electronic processes in nanoscale materials, and has been applied to poly(p-phenylenevynelene) (PPV) aggregates and carbon nanotubes. Absorption spectra of PPVs and carbon nanotubes have been calculated and compared to the experiments.
Persistent Identifierhttp://hdl.handle.net/10722/44613
ISSN
0033-4545
2023 Impact Factor: 2.0
2023 SCImago Journal Rankings: 0.435
ISI Accession Number ID
WOS:000087833100030
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorChen, Gen_HK
dc.contributor.authorYokojima, Sen_HK
dc.contributor.authorLiang, Wen_HK
dc.contributor.authorWang, Xen_HK
dc.date.accessioned2007-10-30T06:05:44Z-
dc.date.available2007-10-30T06:05:44Z-
dc.date.issued2000en_HK
dc.identifier.citationPure And Applied Chemistry, 2000, v. 72 n. 1-2, p. 281-291en_HK
dc.identifier.issn0033-4545en_HK
dc.identifier.urihttp://hdl.handle.net/10722/44613-
dc.description.abstractThe localized-density-matrix (LDM) method has been developed to calculate the excited state properties of very large systems containing thousands of atoms. It is particularly suitable for simulating the dynamic electronic processes in nanoscale materials, and has been applied to poly(p-phenylenevynelene) (PPV) aggregates and carbon nanotubes. Absorption spectra of PPVs and carbon nanotubes have been calculated and compared to the experiments.en_HK
dc.format.extent98872 bytes-
dc.format.extent2671 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypetext/plain-
dc.languageengen_HK
dc.publisherInternational Union of Pure and Applied Chemistry. The Journal's web site is located at http://www.iupac.org/publications/pac/en_HK
dc.relation.ispartofPure and Applied Chemistryen_HK
dc.rights© 2000 IUPAC. The final publication is available at www.degruyter.com-
dc.subjectChemistry engineeringen_HK
dc.subjectChemical engineeringen_HK
dc.titleLocalized-density-matrix method and its application to nanomaterialsen_HK
dc.typeArticleen_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1351/pac200072010281-
dc.identifier.scopuseid_2-s2.0-0034583405en_HK
dc.identifier.hkuros50336-
dc.identifier.hkuros52972-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0034583405&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume72en_HK
dc.identifier.issue1-2en_HK
dc.identifier.spage281en_HK
dc.identifier.epage291en_HK
dc.identifier.isiWOS:000087833100030-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK
dc.identifier.scopusauthoridYokojima, S=6701511038en_HK
dc.identifier.scopusauthoridLiang, W=7402026799en_HK
dc.identifier.scopusauthoridWang, X=10341267000en_HK
dc.identifier.issnl0033-4545-

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