Quantum Monte Carlo data on a rubrene-like lattice model show the relaxation time approximation is inconsistent with the computed correlator, while a one-parameter fit yields a low-frequency mobility estimate below RTA and experiment.
Polaron band formation in the Holstein model
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abstract
We present numerical exact results for the polaronic band structure of the Holstein molecular crystal model in one and two dimensions. The use of direct Lanczos diagonalization technique, preserving the full dynamics and quantum nature of phonons, allows us to analyze in detail the renormalization of both quasiparticle bandwidth and dispersion by the electron-phonon interaction. For the two-dimensional case some of our exact data are compared with the results obtained in the framework of a recently developed finite cluster strong-coupling perturbation theory.
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High-precision Quantum Monte-Carlo study of charge transport in a lattice model of molecular organic semiconductors
Quantum Monte Carlo data on a rubrene-like lattice model show the relaxation time approximation is inconsistent with the computed correlator, while a one-parameter fit yields a low-frequency mobility estimate below RTA and experiment.