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Conference Paper: Time-dependent density-functional theory for open system and its application to molecular electronics

TitleTime-dependent density-functional theory for open system and its application to molecular electronics
Authors
Chen, G
Issue Date2008
PublisherInternational Society for Theoretical Chemical Physics
Citation
Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI), Vancouver, Canada, 19-24 July 2008 How to Cite?
AbstractWe have developed a rigorous TDDFT formalism for open systems. It is based on the equation of motion for reduced single-electron density matrix. The resulting method has been used to simulate the transient currents through molecular devices.
Persistent Identifierhttp://hdl.handle.net/10722/61693

 

DC FieldValueLanguage
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2010-07-13T03:45:14Z-
dc.date.available2010-07-13T03:45:14Z-
dc.date.issued2008en_HK
dc.identifier.citationCongress of the International Society for Theoretical Chemical Physics (ISTCP-VI), Vancouver, Canada, 19-24 July 2008-
dc.identifier.urihttp://hdl.handle.net/10722/61693-
dc.description.abstractWe have developed a rigorous TDDFT formalism for open systems. It is based on the equation of motion for reduced single-electron density matrix. The resulting method has been used to simulate the transient currents through molecular devices.-
dc.languageengen_HK
dc.publisherInternational Society for Theoretical Chemical Physics-
dc.relation.ispartofCongress of the International Society for Theoretical Chemical Physics-
dc.titleTime-dependent density-functional theory for open system and its application to molecular electronicsen_HK
dc.typeConference_Paperen_HK
dc.identifier.emailChen, G: ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.identifier.hkuros145419en_HK

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