Classical MD phonon spectral densities, inserted into the Wigner transport formula, reproduce PbTe conductivity and improve strongly anharmonic Cs3Bi2I6Cl3 without perturbative self-energies.
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Lattice thermal transport from phonon spectra beyond perturbation theory
Classical MD phonon spectral densities, inserted into the Wigner transport formula, reproduce PbTe conductivity and improve strongly anharmonic Cs3Bi2I6Cl3 without perturbative self-energies.