English

Solution to the key problem of statistical physics -- calculations of partition function of many-body systems

Statistical Mechanics 2019-04-26 v2 Computational Physics

Abstract

The key problem of statistical physics standing over one hundred years is how to exactly calculate the partition function (or free energy) of many-body interaction systems, which severely hinders application of the theory for realistic systems. Here we present a novel approach that works at least four orders faster than state-of-the-art algorithms to the problem and can be applied to predict thermal properties of large molecules or macroscopic condensed matters via \emph{ab initio} calculations.The method was demonstrated by C60_{60} molecules, solid and liquid copper (up to 600\sim 600GPa), solid argon, graphene and silicene on substrate, and the derived internal energy or pressure is in a good agreement with the results of vast molecular dynamics simulations in a temperature range up to 25002500K, achieving a precision at least one order higher than previous methods. And, for the first time, the realistic isochoric equation of state for solid argon was reproduced directly from the partition function.

Keywords

Cite

@article{arxiv.1901.08233,
  title  = {Solution to the key problem of statistical physics -- calculations of partition function of many-body systems},
  author = {Bo-Yuan Ning and Le-Cheng Gong and Tsu-Chien Weng and Xi-Jing Ning},
  journal= {arXiv preprint arXiv:1901.08233},
  year   = {2019}
}

Comments

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