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http://hdl.handle.net/10261/173624
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Carrascal, Diego | - |
dc.contributor.author | Ferrer, Jaime | - |
dc.contributor.author | Maitra, Neepa | - |
dc.contributor.author | Burke, Kieron | - |
dc.date.accessioned | 2018-12-26T10:58:18Z | - |
dc.date.available | 2018-12-26T10:58:18Z | - |
dc.date.issued | 2018 | - |
dc.identifier | doi: 10.1140/epjb/e2018-90114-9 | - |
dc.identifier | e-issn: 1434-6036 | - |
dc.identifier | issn: 1436-6028 | - |
dc.identifier.citation | European Physical Journal B 91: 142 (2018) | - |
dc.identifier.other | arXiv:1802.09988v2 | - |
dc.identifier.uri | http://hdl.handle.net/10261/173624 | - |
dc.description.abstract | The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequency-dependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the adiabatic approximation utilizing the exact ground-state functional are shown. The oscillator strength sum rule is proven for lattice Hamiltonians, and relative oscillator strengths are defined appropriately. The method of Casida for extracting oscillator strengths from a frequency-dependent kernel is demonstrated to yield the exact result with this kernel. An unambiguous way of labelling the nature of excitations is given. The fluctuation-dissipation theorem is proven for the ground-state exchange-correlation energy. The distinction between weak and strong correlation is shown to depend on the ratio of interaction to asymmetry. A simple interpolation between carefully defined weak-correlation and strong-correlation regimes yields a density-functional approximation for the kernel that gives accurate transition frequencies for both the single and double excitations, including charge-transfer excitations. Many exact results, limits, and expansions about those limits are given in the Appendices. | - |
dc.description.sponsorship | DC and JF wish to thank funding support from the Spanish Ministerio de Economía y Competitividad via grant FIS2012-34858. NTM thanks the US National Science Foundation CHE-1566197 for support. KB acknowledges DOE grant number DE-FG02-08ER46496. | - |
dc.publisher | Springer Nature | - |
dc.relation.isversionof | Preprint | - |
dc.rights | openAccess | - |
dc.title | Linear response time-dependent density functional theory of the Hubbard dimer | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1140/epjb/e2018-90114-9 | - |
dc.relation.publisherversion | https://doi.org/10.1140/epjb/e2018-90114-9 | - |
dc.date.updated | 2018-12-26T10:58:18Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.contributor.funder | National Science Foundation (US) | - |
dc.contributor.funder | Department of Energy (US) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100000001 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100000015 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.openairetype | artículo | - |
item.fulltext | With Fulltext | - |
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