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- Publisher Website: 10.1007/s11426-013-5007-5
- Scopus: eid_2-s2.0-84891830494
- WOS: WOS:000329110100008
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Article: Linear-scaling computation of excited states in time-domain
Title | Linear-scaling computation of excited states in time-domain |
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Authors | |
Keywords | density matrix linear-scaling methods quantum chemistry time-domain |
Issue Date | 2014 |
Citation | Science China Chemistry, 2014, v. 57, p. 70-77 How to Cite? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/202593 |
ISSN | 2023 Impact Factor: 10.4 2023 SCImago Journal Rankings: 2.316 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Yam, CY | en_US |
dc.contributor.author | Chen, G | en_US |
dc.date.accessioned | 2014-09-19T08:42:07Z | - |
dc.date.available | 2014-09-19T08:42:07Z | - |
dc.date.issued | 2014 | en_US |
dc.identifier.citation | Science China Chemistry, 2014, v. 57, p. 70-77 | en_US |
dc.identifier.issn | 1674-7291 | - |
dc.identifier.uri | http://hdl.handle.net/10722/202593 | - |
dc.description.abstract | The 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.language | eng | en_US |
dc.relation.ispartof | Science China Chemistry | en_US |
dc.subject | density matrix | - |
dc.subject | linear-scaling methods | - |
dc.subject | quantum chemistry | - |
dc.subject | time-domain | - |
dc.title | Linear-scaling computation of excited states in time-domain | en_US |
dc.type | Article | en_US |
dc.identifier.email | Chen, G: ghc@yangtze.hku.hk | en_US |
dc.identifier.authority | Chen, G=rp00671 | en_US |
dc.identifier.doi | 10.1007/s11426-013-5007-5 | en_US |
dc.identifier.scopus | eid_2-s2.0-84891830494 | - |
dc.identifier.hkuros | 237584 | en_US |
dc.identifier.volume | 57 | en_US |
dc.identifier.spage | 70 | en_US |
dc.identifier.epage | 77 | en_US |
dc.identifier.eissn | 1869-1870 | - |
dc.identifier.isi | WOS:000329110100008 | - |
dc.identifier.issnl | 1869-1870 | - |