Atomistic simulations of the local electric field in dielectric liquids

Abstract

The linear response of the local electric field to an external electric field is calculated by a force-field model for frequencies through the first molecular excitation energy. Both static and frequency-dependent external fields are applied and results for the local field are presented for liquid benzene as a model system by combining molecular dynamics simulations and the local field model. It is found that the largest local field response is around 8 at the absorption frequency but it depends significantly on the molecular configuration of the liquid.