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- Publisher Website: 10.1039/c1cp20777f
- Scopus: eid_2-s2.0-80051678738
- PMID: 21643618
- WOS: WOS:000293516200010
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Article: Existence of time-dependent density-functional theory for open electronic systems: Time-dependent holographic electron density theorem
Title | Existence of time-dependent density-functional theory for open electronic systems: Time-dependent holographic electron density theorem |
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Authors | |
Issue Date | 2011 |
Publisher | Royal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccp |
Citation | Physical Chemistry Chemical Physics, 2011, v. 13 n. 32, p. 14358-14364 How to Cite? |
Abstract | We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed. © the Owner Societies 2011. |
Persistent Identifier | http://hdl.handle.net/10722/168553 |
ISSN | 2023 Impact Factor: 2.9 2023 SCImago Journal Rankings: 0.721 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Zheng, X | en_US |
dc.contributor.author | Yam, C | en_US |
dc.contributor.author | Wang, F | en_US |
dc.contributor.author | Chen, G | en_US |
dc.date.accessioned | 2012-10-08T03:20:33Z | - |
dc.date.available | 2012-10-08T03:20:33Z | - |
dc.date.issued | 2011 | en_US |
dc.identifier.citation | Physical Chemistry Chemical Physics, 2011, v. 13 n. 32, p. 14358-14364 | en_US |
dc.identifier.issn | 1463-9076 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/168553 | - |
dc.description.abstract | We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed. © the Owner Societies 2011. | en_US |
dc.language | eng | en_US |
dc.publisher | Royal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccp | en_US |
dc.relation.ispartof | Physical Chemistry Chemical Physics | en_US |
dc.title | Existence of time-dependent density-functional theory for open electronic systems: Time-dependent holographic electron density theorem | en_US |
dc.type | Article | en_US |
dc.identifier.email | Yam, C:yamcy@graduate.hku.hk | en_US |
dc.identifier.email | Chen, G:ghc@yangtze.hku.hk | en_US |
dc.identifier.authority | Yam, C=rp01399 | en_US |
dc.identifier.authority | Chen, G=rp00671 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1039/c1cp20777f | en_US |
dc.identifier.pmid | 21643618 | - |
dc.identifier.scopus | eid_2-s2.0-80051678738 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-80051678738&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 13 | en_US |
dc.identifier.issue | 32 | en_US |
dc.identifier.spage | 14358 | en_US |
dc.identifier.epage | 14364 | en_US |
dc.identifier.isi | WOS:000293516200010 | - |
dc.publisher.place | United Kingdom | en_US |
dc.identifier.scopusauthorid | Zheng, X=7404090981 | en_US |
dc.identifier.scopusauthorid | Yam, C=7004032400 | en_US |
dc.identifier.scopusauthorid | Wang, F=35254198500 | en_US |
dc.identifier.scopusauthorid | Chen, G=35253368600 | en_US |
dc.identifier.citeulike | 11496087 | - |
dc.identifier.issnl | 1463-9076 | - |