Interaction‐induced contributions to polarizability anisotropy relaxation in polar liquids

摘要: We use molecular dynamics simulation to investigate polarizability anistropy relaxation in two polar liquids, methanol and acetonitrile, which have similar dielectric constants at room temperature, but are very different the level. Interaction‐induced contribution is included using first‐order perturbation theory separated into a component projects along sum of anistropies relaxes through collective reorientation ‘‘collision induced’’ other mechanisms involving mainly translational motion. find that interaction‐induced effects on anisotropy time correlation important all relevant scales, especially for more polarizable acetonitrile. In methanol, even though most CO bond, we OH bond make substantial direct relaxation. compare our results t...