CHARGE-DISTRIBUTION IN MIXED-VALENCE TRIMER

Charge transfer in the mixed-valence trimer TTF-IA-TTF is discussed. T hree basis functions are introduced to describe neutral and ionic stat es as the hole residing on IA and TTF molecules, respectively. Charge carrier coupling to intramolecular vibrations is taken into account. G round state charge distribution is analysed as a function of small pol aron binding energies and transfer integral between TTF and IA sites. The results are used to discuss the experimental data on (TTF)2IA crys tal.