A molecular dynamics simulation of interaction-induced dipole correlation functions in liquid CS2

Abstract

The interaction-induced dipole correlation function for liquid CS2 was calculated by molecular dynamics simulation. This correlation function was separated into components parallel and normal to the molecular symmetry axis, and the shape of these, as well as of the tensorial P 2 orientational correlation function, were calculated and compared. The discussion shows that we can obtain information on the environment anisotropy fluctuations contributing to the time dependence of the induced dipoles. The comparative discussion of several of these correlation functions can be useful in obtaining a differentiated, but still partial picture of the molecular dynamics in liquid CS2.