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Published on: September 17, 2021
Direct correlation function from the consistent fundamental-measure free energies for hard-sphere mixtures
1Center for Nonlinear Phenomena and Complex Systems, Code Postal 231, Université Libre de Bruxelles, Boulevard du Triomphe, Brussels 1050, Belgium. jlutsko@ulb.ac.be
Researchers derived a direct correlation function from the Santos functional, finding it closely matches the White Bear functional, except for a divergence near the origin. This work refines fundamental measure theory applications.
Area of Science:
- Statistical Mechanics
- Physical Chemistry
- Computational Physics
Background:
- Fundamental Measure Theory (FMT) provides a framework for understanding the statistical mechanics of hard-body systems.
- A self-consistency condition was recently proposed by Santos to constrain possible FMT formulations.
- The direct correlation function is a key quantity in integral equation theories of liquids.
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