Polarization energy calculations of charge transfer states in the α-sexithiophene crystal

Polarization energy calculations have been performed for the low-temperature polymorph of the α-sexithiophene crystal by means of the Fourier transform method in the submolecule approximation. The sensitivity of the results to the changes of the dielectric tensor anisotropy has been tested, since this latter quantity is not known experimentally. Good stability of the results suggests that they may be used in the interpretation of experimental electroabsorption spectra.