• Corpus ID: 220404303

Measuring Many-Body Distribution Functions in Fluids using Test-Particle Insertion

@article{Stones2020MeasuringMD,
  title={Measuring Many-Body Distribution Functions in Fluids using Test-Particle Insertion},
  author={Adam Edward Stones and Dirk G. A. L. Aarts Department of Chemistry and University of Oxford and United Kingdom.},
  journal={arXiv: Statistical Mechanics},
  year={2020}
}

• Adam Edward Stones, Dirk G. A. L. Aarts Department of Chemistry, +1 author United Kingdom.
• Published 8 July 2020
• Physics
• arXiv: Statistical Mechanics

We derive a hierarchy of equations which allow a general $n$-body distribution function to be measured by test-particle insertion of between $1$ and $n$ particles, and successfully apply it to measure the pair and three-body distribution functions in a simple fluid. The insertion-based methods overcome the drawbacks of the conventional distance-histogram approach, offering enhanced structural resolution and a more straightforward normalisation. They will be especially useful in characterising the structure of inhomogeneous fluids and investigating closure approximations in liquid state theory.