Chemical Physics Letters, Vol.342, No.5-6, 652-658, 2001
Charge redistribution and electronic polarization in organic molecular crystals
The electronic polarization of organic molecular crystals is obtained using the atom-atom polarizability tensor and charge redistribution in addition to previous theory based on induced dipoles. The dielectric tensors of anthracene and perylenetetracarboxylic acid dianhydride (PTCDA) crystals are successfully related to molecular polarizabilities.