Abstract
The dynamic correlations of Cs are investigated along the liquid–vapour coexistence curve in terms of the velocity autocorrelation function (VACF). First, the microscopic theory of liquid metals is used to generate the interionic pair potential, u( r), and then molecular dynamics (MD) are used to calculate the corresponding pair correlation function, g( r), the VACF, ψ( t), and the self-diffusion coefficient, D. In addition, the evolution of ψ( t) and D with density is predicted using a simple analytical model based on single-particle motion. The results are found to be in good agreement with our MD simulation data.
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