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Article: Some recent progresses in density-functional theory: Efficiency, accuracy, and applicability

TitleSome recent progresses in density-functional theory: Efficiency, accuracy, and applicability
Authors
Yam, CYZheng, XChen, G
KeywordsExchange-correlation functional
Linear-scaling
Neural networks
Open electronic systems
Time-dependent density functional theory
Issue Date2006
PublisherAmerican 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?
DOI: http://dx.doi.org/10.1166/jctn.2006.028
AbstractThree 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 Identifierhttp://hdl.handle.net/10722/69998
ISSN
1546-1955
2015 Impact Factor: 1.666
2023 SCImago Journal Rankings: 0.172
ISI Accession Number ID
WOS:000241685400028
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorYam, CYen_HK
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2010-09-06T06:18:45Z-
dc.date.available2010-09-06T06:18:45Z-
dc.date.issued2006en_HK
dc.identifier.citationJournal Of Computational And Theoretical Nanoscience, 2006, v. 3 n. 5, p. 857-863en_HK
dc.identifier.issn1546-1955en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69998-
dc.description.abstractThree 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.languageengen_HK
dc.publisherAmerican Scientific Publishers. The Journal's web site is located at http://www.aspbs.com/ctnen_HK
dc.relation.ispartofJournal of Computational and Theoretical Nanoscienceen_HK
dc.subjectExchange-correlation functionalen_HK
dc.subjectLinear-scalingen_HK
dc.subjectNeural networksen_HK
dc.subjectOpen electronic systemsen_HK
dc.subjectTime-dependent density functional theoryen_HK
dc.titleSome recent progresses in density-functional theory: Efficiency, accuracy, and applicabilityen_HK
dc.typeArticleen_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.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1166/jctn.2006.028en_HK
dc.identifier.scopuseid_2-s2.0-33845752040en_HK
dc.identifier.hkuros136150en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-33845752040&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume3en_HK
dc.identifier.issue5en_HK
dc.identifier.spage857en_HK
dc.identifier.epage863en_HK
dc.identifier.isiWOS:000241685400028-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridYam, CY=7004032400en_HK
dc.identifier.scopusauthoridZheng, X=7404090981en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK
dc.identifier.citeulike895600-
dc.identifier.issnl1546-1955-

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