Chemical Physics Letters, Vol.392, No.1-3, 7-10, 2004
Mechanism for effective polarizability enhancement in molecular crystals: C-60
Effective polarizabilities of molecules in the crystal environment are typically larger than those of molecules in the gas-phase, whereas most environmental effects make them smaller. It is shown that unbound charge-transfer configurations can produce the necessary enhancement. An average energy model and a background dielectric model applied to fullerene C-60 each produce enhancement consistent with that observed experimentally. (C) 2004 Elsevier B.V. All rights reserved.