Method for obtaining polaron mobility using real and imaginary time path-integral quantum Monte Carlo

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dc.citation.issue18
dc.citation.rankM21
dc.citation.spage184315
dc.citation.volume107
dc.contributor.authorMiladić, Suzana
dc.contributor.authorVukmirović, Nenad
dc.date.accessioned2024-06-11T10:22:38Z
dc.date.available2024-06-11T10:22:38Z
dc.date.issued2023-05
dc.description.abstractWe developed a path-integral quantum Monte Carlo-based methodology for calculation of polaron mobility in systems with electron-phonon interaction. Within the method, the current-current correlation function in both the imaginary and real time is calculated in a numerically exact way. The choice of basis for representation of the path integral enabled us to reduce the sign problem and perform real-time calculations for longer times. The DC polaron mobility was extracted by performing analytic continuation that makes use of both the real and imaginary-time data. The method was applied to the Holstein polaron model in one dimension. We obtained reliable results for the temperature dependence of the Holstein polaron mobility for interactions ranging from weak to strong and temperatures that are not too low.
dc.identifier.doi10.1103/physrevb.107.184315
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.scopus2-s2.0-85161208709
dc.identifier.urihttps://pub.ipb.ac.rs/handle/123456789/72
dc.identifier.wos001008180100003
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.ispartofPhysical Review B
dc.relation.ispartofabbrPhys. Rev. B
dc.rightsrestrictedAccess
dc.titleMethod for obtaining polaron mobility using real and imaginary time path-integral quantum Monte Carlo
dc.typeArticle
dc.type.versionpublishedVersion
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