Method for obtaining polaron mobility using real and imaginary time path-integral quantum Monte Carlo
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Date
2023-05
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Journal Title
Physical Review B
Volume Title
107
Article Title
184315
Publisher
American Physical Society (APS)
Abstract
We 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.