Rapidly calculating the partition function of macroscopic systems

被引：0

作者：

李菁田 ^{[1
]}

宁博元 ^{[2
]}

龚乐诚 ^{[1
]}

庄军 ^{[2
]}

宁西京 ^{[1
]}

机构：

[1] Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University

[2] Department of Optical Science and Engineering, Fudan University

来源：

Chinese Physics B | 2017年 / 26卷 / 03期

基金：

中国国家自然科学基金;

关键词：

partition function; statistical physics; free energy calculation;

D O I：

暂无

中图分类号：

O414.2 [统计物理学];

学科分类号：

0809 ;

摘要：

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.

引用

页码：240 / 245

页数：6

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