Fundamental measure theory for predicting many-body correlation functions
Ilian Pihlajamaa1, Teunike A van de Pol1, Liesbeth M C Janssen1,2
1Eindhoven University of Technology, Soft Matter and Biological Physics, Department of Applied Physics, P.O. Box 513, 5600 MB Eindhoven, The Netherlands.
Abstract:
We study many-body correlation functions within various Fundamental Measure Theory (FMT) formulations and compare their predictions to Monte Carlo simulations of hard-sphere fluids. FMT accurately captures the qualitative behavior of three- and four-body structures, particularly at low and intermediate wave vectors. At higher wave vectors, the predictions of FMT vary in quantitative accuracy. We show that the dominant contributions to the four-point structure factor arise from direct triplet correlations, allowing the evaluation of four-point correlations to be greatly simplified. In glass-forming liquids at high volume fractions, FMT correctly reproduces deviations from the convolution approximation, highlighting FMT's ability to capture growing structural multipoint correlations upon supercooling.
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