HEOM auxiliaries are expressed through phonon operators, the generalized Wick theorem is proved, and exact mobility is computed for the 1D Peierls model.
Dynamical quantum typicality: Simple method for investigating transport properties applied to the Holstein model
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abstract
We investigate the transport properties of the Holstein model using the numerically exact quantum typicality (QT) approach. Roughly speaking, QT exploits the fact that even a single, randomly chosen pure state can effectively represent the full statistical ensemble in a high-dimensional Hilbert space. This allows us to compute frequency-dependent mobilities, representative of the thermodynamic limit, that are well-converged with respect to all numerical parameters. Our results are compared against other numerically exact methods, and used to analyze the contribution of vertex corrections to frequency-dependent mobility. The promising accuracy and efficiency of the QT approach suggest its applicability to a broader class of Hamiltonians.
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Charge transport limited by nonlocal electron-phonon interaction. I. Hierarchical equations of motion approach
HEOM auxiliaries are expressed through phonon operators, the generalized Wick theorem is proved, and exact mobility is computed for the 1D Peierls model.