File Download
There are no files associated with this item.
Supplementary
-
Citations:
- Appears in Collections:
Conference Paper: Time-dependent density-functional theory for open system and its application to molecular electronics
Title | Time-dependent density-functional theory for open system and its application to molecular electronics |
---|---|
Authors | |
Issue Date | 2008 |
Publisher | International 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? |
Abstract | We 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 Identifier | http://hdl.handle.net/10722/61693 |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Chen, G | en_HK |
dc.date.accessioned | 2010-07-13T03:45:14Z | - |
dc.date.available | 2010-07-13T03:45:14Z | - |
dc.date.issued | 2008 | en_HK |
dc.identifier.citation | Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI), Vancouver, Canada, 19-24 July 2008 | - |
dc.identifier.uri | http://hdl.handle.net/10722/61693 | - |
dc.description.abstract | We 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.language | eng | en_HK |
dc.publisher | International Society for Theoretical Chemical Physics | - |
dc.relation.ispartof | Congress of the International Society for Theoretical Chemical Physics | - |
dc.title | Time-dependent density-functional theory for open system and its application to molecular electronics | en_HK |
dc.type | Conference_Paper | en_HK |
dc.identifier.email | Chen, G: ghc@yangtze.hku.hk | en_HK |
dc.identifier.authority | Chen, G=rp00671 | en_HK |
dc.identifier.hkuros | 145419 | en_HK |