dc.contributor.author | Karlsson, Daniel | |
dc.contributor.author | van Leeuwen, Robert | |
dc.contributor.author | Perfetto, Enrico | |
dc.contributor.author | Stefanucci, Gianluca | |
dc.date.accessioned | 2018-10-08T06:57:27Z | |
dc.date.available | 2018-10-08T06:57:27Z | |
dc.date.issued | 2018 | |
dc.identifier.citation | Karlsson, D., van Leeuwen, R., Perfetto, E., & Stefanucci, G. (2018). The generalized Kadanoff-Baym ansatz with initial correlations. <i>Physical Review B</i>, <i>98</i>(11), Article 115148. <a href="https://doi.org/10.1103/PhysRevB.98.115148" target="_blank">https://doi.org/10.1103/PhysRevB.98.115148</a> | |
dc.identifier.other | CONVID_28289805 | |
dc.identifier.other | TUTKAID_78993 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/59776 | |
dc.description.abstract | Within the nonequilibrium Green’s function (NEGF) formalism, the generalized Kadanoff-Baym ansatz
(GKBA) has stood out as a computationally cheap method to investigate the dynamics of interacting quantum
systems driven out of equilibrium. Current implementations of the NEGF-GKBA, however, suffer from a
drawback: real-time simulations require noncorrelated states as initial states. Consequently, initial correlations
must be built up through an adiabatic switching of the interaction before turning on any external field, a procedure
that can be numerically highly expensive. In this work, we extend the NEGF-GKBA to allow for correlated states
as initial states. Our scheme makes it possible to efficiently separate the calculation of the initial state from the
real-time simulation, thus paving the way for enlarging the class of systems and external drivings accessible by
the already successful NEGF-GKBA. We demonstrate the accuracy of the method and its improved performance
in a model donor-acceptor dyad driven out of equilibrium by an external laser pulse. | fi |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | |
dc.publisher | American Physical Society | |
dc.relation.ispartofseries | Physical Review B | |
dc.rights | In Copyright | |
dc.subject.other | many-body theory | |
dc.subject.other | Green's function | |
dc.subject.other | Kadanoff-Baym ansatz | |
dc.title | The generalized Kadanoff-Baym ansatz with initial correlations | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-201810014272 | |
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 | 2018-10-01T09:15:19Z | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 2469-9950 | |
dc.relation.numberinseries | 11 | |
dc.relation.volume | 98 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | ©2018 American Physical Society | |
dc.rights.accesslevel | openAccess | fi |
dc.relation.grantnumber | 308697 | |
dc.subject.yso | kvanttifysiikka | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p5564 | |
dc.rights.url | http://rightsstatements.org/page/InC/1.0/?language=en | |
dc.relation.doi | 10.1103/PhysRevB.98.115148 | |
dc.relation.funder | Suomen Akatemia | fi |
dc.relation.funder | Academy of Finland | en |
jyx.fundingprogram | Tutkijatohtori, SA | fi |
jyx.fundingprogram | Postdoctoral Researcher, AoF | en |
jyx.fundinginformation | D.K. acknowledges the Academy of Finland for funding under Project No. 308697, and the Finnish Grid and Cloud Infrastructure for computational resources (urn:nbn:fi:researchinfras-2016072533). G.S. and E.P. acknowledge EC funding through the RISE Co-ExAN (Grant No. GA644076). E.P. also acknowledges funding from the European Union project MaX Materials design at the eXascale H2020-EINFRA-2015-1, Grant Agreement No. 676598 and Nanoscience Foundries and Fine Analysis-Europe H2020-INFRAIA-2014-2015, Project No. 654360. | |
dc.type.okm | A1 | |