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Correlated quantum dynamics of graphene clusters
Örebro University, School of Science and Technology.ORCID iD: 0000-0002-6098-721X
Örebro University, School of Science and Technology. Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden.
Örebro University, School of Science and Technology. Hellenic Mediterranean University, Heraklion, Greece.ORCID iD: 0000-0002-2630-7479
2023 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 107, no 13, article id 134306Article in journal (Refereed) Published
Abstract [en]

Phase-space representations are a family of methods for dynamics of both bosonic , fermionic systems, that work by mapping the system's density matrix to a quasiprobability density and the Liouville-von Neumann equation of the Hamiltonian to a corresponding density differential equation for the probability. We investigate here the accuracy and the computational efficiency of one approximate phase-space representation, called the fermionic truncated Wigner approximation (fTWA), applied to the Fermi-Hubbard model. On a many-body 2D system, with hopping strength and Coulomb U tuned to represent the electronic structure of graphene, the method is found to be able to capture the time evolution of first-order (site occupation) and second-order (correlation functions) moments significantly better than the mean-field, Hartree-Fock method. The fTWA was also compared to results from the exact diagonalization method for smaller systems , in general the agreement was found to be good. The fully parallel computational requirement of fTWA scales in the same order as the Hartree-Fock method, and the largest system considered here contained 198 lattice sites.

Place, publisher, year, edition, pages
American Physical Society, 2023. Vol. 107, no 13, article id 134306
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:oru:diva-105997DOI: 10.1103/PhysRevB.107.134306ISI: 000975822800004Scopus ID: 2-s2.0-85158840901OAI: oai:DiVA.org:oru-105997DiVA, id: diva2:1758146
Funder
Carl Tryggers foundation Swedish Research CouncilKnut and Alice Wallenberg FoundationSwedish Energy AgencyeSSENCE - An eScience CollaborationEuropean Commission, 854843Available from: 2023-05-22 Created: 2023-05-22 Last updated: 2024-03-18Bibliographically approved

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Rousse, FrançoisEriksson, OlleÖgren, Magnus

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