The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach

We present a polarizable QM/MM strategy to simulate the absorption line shape of chromophores embedded in complex matrices, including both homogeneous and inhomogeneous broadening.

Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative

The one-photon absorption spectrum of a carbazole derivative has been studied by employing density functional response theory combined with a mixed quantum/classical approach to simulate the spectral shape.