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Article: Linear-scaling computation of excited states in time-domain

TitleLinear-scaling computation of excited states in time-domain
Authors
Issue Date2014
Citation
Science China Chemistry, 2014, v. 57, p. 70-77 How to Cite?
AbstractThe applicability of quantum mechanical methods is severely limited by their poor scaling. To circumvent the problem, linear-scaling methods for quantum mechanical calculations had been developed. The physical basis of linear-scaling methods is the locality in quantum mechanics where the properties or observables of a system are weakly influenced by factors spatially far apart. Besides the substantial efforts spent on devising linear-scaling methods for ground state, there is also a growing interest in the development of linear-scaling methods for excited states. This review gives an overview of linear-scaling approaches for excited states solved in real time-domain.
Persistent Identifierhttp://hdl.handle.net/10722/202593
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorYam, CYen_US
dc.contributor.authorChen, Gen_US
dc.date.accessioned2014-09-19T08:42:07Z-
dc.date.available2014-09-19T08:42:07Z-
dc.date.issued2014en_US
dc.identifier.citationScience China Chemistry, 2014, v. 57, p. 70-77en_US
dc.identifier.urihttp://hdl.handle.net/10722/202593-
dc.description.abstractThe applicability of quantum mechanical methods is severely limited by their poor scaling. To circumvent the problem, linear-scaling methods for quantum mechanical calculations had been developed. The physical basis of linear-scaling methods is the locality in quantum mechanics where the properties or observables of a system are weakly influenced by factors spatially far apart. Besides the substantial efforts spent on devising linear-scaling methods for ground state, there is also a growing interest in the development of linear-scaling methods for excited states. This review gives an overview of linear-scaling approaches for excited states solved in real time-domain.en_US
dc.languageengen_US
dc.relation.ispartofScience China Chemistryen_US
dc.titleLinear-scaling computation of excited states in time-domainen_US
dc.typeArticleen_US
dc.identifier.emailChen, G: ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, G=rp00671en_US
dc.identifier.doi10.1007/s11426-013-5007-5en_US
dc.identifier.hkuros237584en_US
dc.identifier.volume57en_US
dc.identifier.spage70en_US
dc.identifier.epage77en_US
dc.identifier.isiWOS:000329110100008-

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