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http://hdl.handle.net/10261/94545
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dc.contributor.author | Ruggenthaler, Michael | - |
dc.contributor.author | Flick, Johannes | - |
dc.contributor.author | Pellegrini, Camilla | - |
dc.contributor.author | Appel, H. | - |
dc.contributor.author | Tokatly, I. V. | - |
dc.contributor.author | Rubio, Angel | - |
dc.date.accessioned | 2014-03-31T11:08:31Z | - |
dc.date.available | 2014-03-31T11:08:31Z | - |
dc.date.issued | 2014 | - |
dc.identifier.citation | Physical Review A 90(1): 012508 (2014) | es_ES |
dc.identifier.issn | 2469-9926 | - |
dc.identifier.uri | http://hdl.handle.net/10261/94545 | - |
dc.description.abstract | In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of density-functional-type theories that describe the interaction of charged particles with photons and introduce the appropriate Kohn-Sham schemes. We show how the evolution of a system described by quantum electrodynamics in Coulomb gauge is uniquely determined by its initial state and two reduced quantities. These two fundamental observables, the polarization of the Dirac field and the vector potential of the photon field, can be calculated by solving two coupled, non-linear evolution equations without the need to explicitly determine the (numerically infeasible) many-body wave function of the coupled quantum system. To find reliable approximations to the implicit functionals we present the according Kohn-Sham construction. In the non-relativistic limit this density-functional-type theory of quantum electrodynamics reduces to the density-functional reformulation of the Pauli-Fierz Hamiltonian, which is based on the current density of the electrons and the vector potential of the photon field. By making further approximations, e.g. restricting the allowed modes of the photon field, we derive further density functional-type theories of coupled matter-photon systems for the corresponding approximate Hamiltonians. In the limit of only two sites and one mode we deduce the according effective theory for the two-site Hubbard model coupled to one photonic mode. This model system is used to illustrate the basic ideas of a density-functional reformulation in great detail and we present the exact Kohn-Sham potentials for our coupled matter-photon model system. | es_ES |
dc.description.sponsorship | MR acknowledges financial support by the Austrian Science Fonds (FWF projects J 3016-N16 and P 25739-N27). We further acknowledge financial support from the European Research Council Advanced Grant DYNamo (ERC-2010-AdG-267374), Spanish Grant (FIS2010-21282-C02-01), Grupos Consolidados UPV/EHU del Gobierno Vasco (IT578-13), Ikerbasque and the European Commission projects CRONOS (Grant number 280879-2 CRONOS CP-FP7). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | American Physical Society | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/267374 | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/280879 | - |
dc.relation.isversionof | Publisher's version | es_ES |
dc.rights | openAccess | es_ES |
dc.title | Quantum electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory | es_ES |
dc.type | artículo | es_ES |
dc.identifier.doi | 10.1103/PhysRevA.90.012508 | - |
dc.description.peerreviewed | Sí | es_ES |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevA.90.012508 | - |
dc.identifier.e-issn | 2469-9934 | - |
dc.rights.license | http://creativecommons.org/licenses/by/3.0/ | - |
dc.contributor.funder | Austrian Science Fund | - |
dc.contributor.funder | European Commission | - |
dc.contributor.funder | European Research Council | - |
dc.contributor.funder | Eusko Jaurlaritza | - |
dc.contributor.funder | Universidad del País Vasco | - |
dc.contributor.funder | Ikerbasque Basque Foundation for Science | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100002428 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000780 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000781 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003989 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003086 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.languageiso639-1 | en | - |
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Quantum-electrodynamical.pdf | 1,42 MB | Adobe PDF | Visualizar/Abrir |
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