Fundamental measure theory for predicting many-body correlation functions
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.
Authors
- Liesbeth M. C. Janssen (ORCID: https://orcid.org/0000-0001-5283-1330)
- Ilian Pihlajamaa (ORCID: https://orcid.org/0000-0003-3779-4281)
- Teunike A. van de Pol (ORCID: https://orcid.org/0009-0006-8636-392X)
Institutions
- Eindhoven University of Technology (NL)
Publication Details
- Journal
- Physical review. E
- Published
- 2025-11-25
- DOI
- https://doi.org/10.1103/qddb-nrc5
- Primary Topic
- Material Dynamics and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Nederlandse Organisatie voor Wetenschappelijk Onderzoek