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We consider electron(hole)-phonon coupling in crystalline organicsemiconductors, using naphthalene for our case study. Employing afirst-principles approach, we compute the changes in the self-consistentKohn-Sham potential corresponding to different phonon modes and go on to obtainthe carrier-phonon coupling matrix elements (vertex functions). We thenevaluate perturbatively the quasiparticle spectral residues for electrons atthe bottom of the lowest-unoccupied- (LUMO) and holes at the top of thehighest-occupied (HOMO) band, respectively obtaining $Z_e\approx 0.74$ and$Z_h\approx 0.78$. Along with the widely accepted notion that thecarrier-phonon coupling strengths in polyacenes decrease with increasingmolecular size, our results provide a strong microscopic evidence for thepreviously conjectured nonpolaronic nature of band-like carriers in thesesystems.

Electron-phonon coupling in crystalline organic semiconductors: Microscopic evidence for nonpolaronic charge carriers