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Article: Localized-density-matrix implementation of time-dependent density-functional theory

TitleLocalized-density-matrix implementation of time-dependent density-functional theory
Authors
Yam, CYYokojima, SChen, G
KeywordsPhysics chemistry
Issue Date2003
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal of Chemical Physics, 2003, v. 119 n. 17, p. 8794-8803 How to Cite?
DOI: http://dx.doi.org/10.1063/1.1613634
AbstractThe localized single-electron density matrix implementation of time-dependent density-functional theory (TDDFT) was discussed. The excited state properties of atoms and molecules were calculated using the TDDFT. In this regard, the calculations of the absorption spectra of polyacetylene oligomers and linear alkanes by using the TDDFT, were also presented.
Persistent Identifierhttp://hdl.handle.net/10722/42047
ISSN
0021-9606
2023 Impact Factor: 3.1
2023 SCImago Journal Rankings: 1.101
ISI Accession Number ID
WOS:000185988900004
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorYam, CYen_HK
dc.contributor.authorYokojima, Sen_HK
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2007-01-08T02:27:41Z-
dc.date.available2007-01-08T02:27:41Z-
dc.date.issued2003en_HK
dc.identifier.citationJournal of Chemical Physics, 2003, v. 119 n. 17, p. 8794-8803-
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42047-
dc.description.abstractThe localized single-electron density matrix implementation of time-dependent density-functional theory (TDDFT) was discussed. The excited state properties of atoms and molecules were calculated using the TDDFT. In this regard, the calculations of the absorption spectra of polyacetylene oligomers and linear alkanes by using the TDDFT, were also presented.en_HK
dc.format.extent142527 bytes-
dc.format.extent5009 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypetext/plain-
dc.languageengen_HK
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jspen_HK
dc.relation.ispartofJournal of Chemical Physicsen_HK
dc.rightsCopyright 2003 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2003, v. 119 n. 17, p. 8794-8803 and may be found at https://doi.org/10.1063/1.1613634-
dc.subjectPhysics chemistryen_HK
dc.titleLocalized-density-matrix implementation of time-dependent density-functional theoryen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=119&issue=17&spage=8794&epage=8803&date=2003&atitle=Localized-density-matrix+implementation+of+time-dependent+density-functional+theoryen_HK
dc.identifier.emailYam, CY:yamcy@graduate.hku.hken_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityYam, CY=rp01399en_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1063/1.1613634en_HK
dc.identifier.scopuseid_2-s2.0-0344899043en_HK
dc.identifier.hkuros91630-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0344899043&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume119en_HK
dc.identifier.issue17en_HK
dc.identifier.spage8794en_HK
dc.identifier.epage8803en_HK
dc.identifier.isiWOS:000185988900004-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridYam, CY=7004032400en_HK
dc.identifier.scopusauthoridYokojima, S=6701511038en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK
dc.identifier.issnl0021-9606-

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