# The standard mean-field treatment of inter-particle attraction in   classical DFT is better than one might expect

**Authors:** Andrew J. Archer, Blesson Chacko, Robert Evans

arXiv: 1706.08744 · 2017-07-25

## TL;DR

This paper demonstrates that the standard mean-field approach in classical DFT for attractive interactions provides more accurate inhomogeneous fluid predictions than expected, surpassing the simple RPA approximation in a one-dimensional model.

## Contribution

The study reveals that mean-field DFT, when used with the test-particle method, outperforms RPA in predicting fluid structure, challenging assumptions about its accuracy based on bulk correlation functions.

## Key findings

- Mean-field DFT yields superior inhomogeneous fluid structure results.
- Results from a 1D model show better accuracy than RPA predictions.
- The quality of DFT should not be judged solely by bulk correlation approximations.

## Abstract

In classical density functional theory (DFT) the part of the Helmholtz free energy functional arising from attractive inter-particle interactions is often treated in a mean-field or van der Waals approximation. On the face of it, this is a somewhat crude treatment as the resulting functional generates the simple random phase approximation (RPA) for the bulk fluid pair direct correlation function. We explain why using standard mean-field DFT to describe inhomogeneous fluid structure and thermodynamics is more accurate than one might expect based on this observation. By considering the pair correlation function $g(x)$ and structure factor $S(k)$ of a one-dimensional model fluid, for which exact results are available, we show that the mean-field DFT, employed within the test-particle procedure, yields results much superior to those from the RPA closure of the bulk Ornstein-Zernike equation. We argue that one should not judge the quality of a DFT based solely on the approximation it generates for the bulk pair direct correlation function.

## Full text

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## Figures

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## References

33 references — full list in the complete paper: https://tomesphere.com/paper/1706.08744/full.md

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Source: https://tomesphere.com/paper/1706.08744