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Article: Time domain localized-density-matrix method

TitleTime domain localized-density-matrix method
Authors
Yokojima, SChen, G
Issue Date1998
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 1998, v. 292 n. 4-6, p. 379-383 How to Cite?
DOI: http://dx.doi.org/10.1016/S0009-2614(98)00712-X
AbstractA recently developed linear scaling localized-density-matrix method is modified, and the equation of motion for reduced single electron density matrix is solved for the absorption spectra of polyacetylene oligomers in the time-domain. The modified method requires much less computer memory which enables us to calculate linear optical response of larger oligomers containing up to 2000 carbon atoms. Different values of critical lengths are employed in the calculations, and their roles are clarified. © 1998 Elsevier Science B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/69607
ISSN
0009-2614
2021 Impact Factor: 2.719
2020 SCImago Journal Rankings: 0.509
ISI Accession Number ID
WOS:000075482300003
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorYokojima, Sen_HK
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2010-09-06T06:15:12Z-
dc.date.available2010-09-06T06:15:12Z-
dc.date.issued1998en_HK
dc.identifier.citationChemical Physics Letters, 1998, v. 292 n. 4-6, p. 379-383en_HK
dc.identifier.issn0009-2614en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69607-
dc.description.abstractA recently developed linear scaling localized-density-matrix method is modified, and the equation of motion for reduced single electron density matrix is solved for the absorption spectra of polyacetylene oligomers in the time-domain. The modified method requires much less computer memory which enables us to calculate linear optical response of larger oligomers containing up to 2000 carbon atoms. Different values of critical lengths are employed in the calculations, and their roles are clarified. © 1998 Elsevier Science B.V. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_HK
dc.relation.ispartofChemical Physics Lettersen_HK
dc.rightsChemical Physics Letters. Copyright © Elsevier BV.en_HK
dc.titleTime domain localized-density-matrix methoden_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0009-2614&volume=292&spage=379&epage=383&date=1998&atitle=Time+domain+localized-density-matrix+methoden_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0009-2614(98)00712-X-
dc.identifier.scopuseid_2-s2.0-0000847089en_HK
dc.identifier.hkuros39980en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000847089&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume292en_HK
dc.identifier.issue4-6en_HK
dc.identifier.spage379en_HK
dc.identifier.epage383en_HK
dc.identifier.isiWOS:000075482300003-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridYokojima, S=6701511038en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK
dc.identifier.issnl0009-2614-

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