Abstract
Charge transfer （CT） in organic materials, such as CT in DNA, ATP and molecular organic semiconductors has attracted increasing interest. In this paper we evaluate hole mobility in polyethylene, the simplest polymer. The results show that hole mobility in polyethylene is small due to the small electronic coupling and large reorganization energy owing to its σ bonded structure of hole localized state. In addition it is shown that hole mobility increases with increasing chain length due to the decrease in reorganization energy owing to the increase in the extent of delocalization of hole localized state.
