Rapidly calculating the partition function of macroscopic systems

doi:10.1088/1674-1056/26/3/030501

Abstract

It has remained an open problem to accurately compute the partition function of macroscopic systems since the establishment of statistical physics. A rapid method approaching this problem was presented and was strictly tested by molecular dynamic (MD) simulations on Ar atoms in both dense gaseous and liquid states. The outcomes from the method on the internal energy and the work of isothermal expansion (and therefore the free energy) are in good agreement with the MD simulations, suggesting the method would be immediately applied in vast areas.

Keywords: partition function statistical physics free energy calculation

Received: 04 September 2016
Revised: 05 December 2016
Accepted manuscript online:

PACS:	05.20.Gg	(Classical ensemble theory)
	05.20.Jj	(Statistical mechanics of classical fluids)
	02.70.Ns	(Molecular dynamics and particle methods)

Fund:

Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20130071110018) and the National Natural Science Foundation of China (Grant No. 11274073).

Corresponding Authors: Xi-Jing Ning
E-mail: xjning@fudan.edu.cn

Cite this article:

Jing-Tian Li(李菁田), Bo-Yuan Ning(宁博元), Le-Cheng Gong(龚乐诚), Jun Zhuang(庄军), Xi-Jing Ning(宁西京) Rapidly calculating the partition function of macroscopic systems 2017 Chin. Phys. B 26 030501

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