MEASURING THE PROPERTIES OF LIQUIDS BY COUNTING

In the computer simulation method (NVE ensemble) of determining the pr operties of classical liquids there are well established procedures fo r determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of parti cles through a. notional plane in the liquid. This method is used in h omogeneous liquids as an alternative way of determining: the temperatu re, the diffusion coefficient and the velocity autocorrelation functio n. In inhomogeneous systems the new procedure is used to determine the density profile. For all properties: except the velocity autocorrelat ion function, the method proposed is more accurate for given computati onal effort than the conventional one.