Charge redistribution and electronic polarization in organic molecular crystals
Z.G. Soos, E.V. Tsiper and R.A. Pascal, Jr.
Department of Chemistry, Princeton University, Princeton, NJ 08544
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.
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