Linear- and Angular-Momentum Autocorrelation Functions in Diatomic Liquids

The linear- and angular-momentum autocorrelation functions in liquid CO have been studied using computer-simulated molecular dynamics. The structure of these functions appears to be determined by the corresponding autocorrelation functions of the direction of the linear and angular momentum. The structure of the angular-momentum autocorrelation function is also shown to depend on the strength of the noncentral part of the pair potential used in the dynamics calculations. The assumptions that the linear and angular momenta are Gaussian random variables are examined and shown to be valid for the data presented.