Computer simulation of the structure of liquid cesium and determination of the pair potentials over a wide temperature range

摘要

Using diffraction data for liquid cesium structure over a wide temperature range, models of liquid cesium are constructed and the effective pair potentials are extracted using the theory of liquids. The iterative procedure proposed by L. Reatto is used. In the range 323-1923 K the pair potentials are weakly temperature-dependent. The potentials extracted from the diffraction data differ from the potentials calculated using the Animalu-Heime pseudopotential. The self-diffusion coefficients in liquid cesium are determined. Their temperature dependence is described satisfactorily by a power-law function.