dc.contributor.author | Hopjan, M. | |
dc.contributor.author | Karlsson, Daniel | |
dc.contributor.author | Ydman, S. | |
dc.contributor.author | Verdozzi, C. | |
dc.contributor.author | Almbladh, C.-O. | |
dc.date.accessioned | 2016-08-22T11:26:17Z | |
dc.date.available | 2016-08-22T11:26:17Z | |
dc.date.issued | 2016 | |
dc.identifier.citation | Hopjan, M., Karlsson, D., Ydman, S., Verdozzi, C., & Almbladh, C.-O. (2016). Merging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium?. <i>Physical Review Letters</i>, <i>116</i>(23), Article 236402. <a href="https://doi.org/10.1103/PhysRevLett.116.236402" target="_blank">https://doi.org/10.1103/PhysRevLett.116.236402</a> | |
dc.identifier.other | CONVID_26163892 | |
dc.identifier.other | TUTKAID_70902 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/50994 | |
dc.description.abstract | We propose a description of nonequilibrium systems via a simple protocol that combines exchangecorrelation
potentials from density functional theory with self-energies of many-body perturbation theory.
The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbardtype
systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system
dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent
density functional theory or second Born nonequilibrium Green’s function approximations. We briefly
discuss the reasons for the residual discrepancies, and directions for future work. | |
dc.language.iso | eng | |
dc.publisher | American Physical Society | |
dc.relation.ispartofseries | Physical Review Letters | |
dc.subject.other | perturbation techniques | |
dc.subject.other | correlated materials | |
dc.subject.other | exchange-correlation potential | |
dc.subject.other | interaction strength | |
dc.subject.other | many body perturbation theory | |
dc.subject.other | non-equilibrium Green's function | |
dc.subject.other | nonequilibrium system | |
dc.subject.other | out of equilibrium | |
dc.subject.other | time dependent density functional theory | |
dc.title | Merging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium? | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-201608153801 | |
dc.contributor.laitos | Fysiikan laitos | fi |
dc.contributor.laitos | Department of Physics | en |
dc.contributor.oppiaine | Nanoscience Center | fi |
dc.contributor.oppiaine | Nanoscience Center | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.date.updated | 2016-08-15T12:15:06Z | |
dc.type.coar | journal article | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 0031-9007 | |
dc.relation.numberinseries | 23 | |
dc.relation.volume | 116 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © 2016 American Physical Society. Published in this repository with the kind permission of the publisher. | |
dc.rights.accesslevel | openAccess | fi |
dc.relation.doi | 10.1103/PhysRevLett.116.236402 | |