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Article: Some recent progresses in density-functional theory: Efficiency, accuracy, and applicability
Title | Some recent progresses in density-functional theory: Efficiency, accuracy, and applicability |
---|---|
Authors | |
Keywords | Exchange-correlation functional Linear-scaling Neural networks Open electronic systems Time-dependent density functional theory |
Issue Date | 2006 |
Publisher | American Scientific Publishers. The Journal's web site is located at http://www.aspbs.com/ctn |
Citation | Journal Of Computational And Theoretical Nanoscience, 2006, v. 3 n. 5, p. 857-863 How to Cite? |
Abstract | Three new developments of density functional theory are reported here. First, we have developed a highly efficient first-principles method for excited electronic states, whose computational time scales linearly with the system size. Secondly, Neural Networks is introduced to construct the exchange-correlation functional of density functional theory; and lastly, a rigorous first-principles formalism has been established for open electronic systems. Copyright © 2006 American Scientific Publishers All rights reserved. |
Persistent Identifier | http://hdl.handle.net/10722/69998 |
ISSN | 2015 Impact Factor: 1.666 2023 SCImago Journal Rankings: 0.172 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Yam, CY | en_HK |
dc.contributor.author | Zheng, X | en_HK |
dc.contributor.author | Chen, G | en_HK |
dc.date.accessioned | 2010-09-06T06:18:45Z | - |
dc.date.available | 2010-09-06T06:18:45Z | - |
dc.date.issued | 2006 | en_HK |
dc.identifier.citation | Journal Of Computational And Theoretical Nanoscience, 2006, v. 3 n. 5, p. 857-863 | en_HK |
dc.identifier.issn | 1546-1955 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/69998 | - |
dc.description.abstract | Three new developments of density functional theory are reported here. First, we have developed a highly efficient first-principles method for excited electronic states, whose computational time scales linearly with the system size. Secondly, Neural Networks is introduced to construct the exchange-correlation functional of density functional theory; and lastly, a rigorous first-principles formalism has been established for open electronic systems. Copyright © 2006 American Scientific Publishers All rights reserved. | en_HK |
dc.language | eng | en_HK |
dc.publisher | American Scientific Publishers. The Journal's web site is located at http://www.aspbs.com/ctn | en_HK |
dc.relation.ispartof | Journal of Computational and Theoretical Nanoscience | en_HK |
dc.subject | Exchange-correlation functional | en_HK |
dc.subject | Linear-scaling | en_HK |
dc.subject | Neural networks | en_HK |
dc.subject | Open electronic systems | en_HK |
dc.subject | Time-dependent density functional theory | en_HK |
dc.title | Some recent progresses in density-functional theory: Efficiency, accuracy, and applicability | en_HK |
dc.type | Article | en_HK |
dc.identifier.email | Yam, CY:yamcy@graduate.hku.hk | en_HK |
dc.identifier.email | Chen, G:ghc@yangtze.hku.hk | en_HK |
dc.identifier.authority | Yam, CY=rp01399 | en_HK |
dc.identifier.authority | Chen, G=rp00671 | en_HK |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1166/jctn.2006.028 | en_HK |
dc.identifier.scopus | eid_2-s2.0-33845752040 | en_HK |
dc.identifier.hkuros | 136150 | en_HK |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-33845752040&selection=ref&src=s&origin=recordpage | en_HK |
dc.identifier.volume | 3 | en_HK |
dc.identifier.issue | 5 | en_HK |
dc.identifier.spage | 857 | en_HK |
dc.identifier.epage | 863 | en_HK |
dc.identifier.isi | WOS:000241685400028 | - |
dc.publisher.place | United States | en_HK |
dc.identifier.scopusauthorid | Yam, CY=7004032400 | en_HK |
dc.identifier.scopusauthorid | Zheng, X=7404090981 | en_HK |
dc.identifier.scopusauthorid | Chen, G=35253368600 | en_HK |
dc.identifier.citeulike | 895600 | - |
dc.identifier.issnl | 1546-1955 | - |