Universality principle and the development of classical density functional theory

doi:10.1088/1009-1963/11/10/316

中国物理B ›› 2002, Vol. 11 ›› Issue (10): 1051-1059.doi: 10.1088/1009-1963/11/10/316

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Universality principle and the development of classical density functional theory

周世琦, 张晓琪

Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Zhuzhou 412008, China

收稿日期:2001-12-23 修回日期:2002-05-26 出版日期:2005-06-12 发布日期:2005-06-12
基金资助:
Project supported by the Natural Science Foundation of Hunan Province, China (Grant No 01JJY3007) and by the Natural Science Foundation of Education Department of Hunan Province, China (Grant No 01C338).

Universality principle and the development of classical density functional theory

Zhou Shi-Qi (周世琦), Zhang Xiao-Qi (张晓琪)

Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Zhuzhou 412008, China

Received:2001-12-23 Revised:2002-05-26 Online:2005-06-12 Published:2005-06-12
Supported by:
Project supported by the Natural Science Foundation of Hunan Province, China (Grant No 01JJY3007) and by the Natural Science Foundation of Education Department of Hunan Province, China (Grant No 01C338).

摘要/Abstract

摘要： The universality principle of the free energy density functional and the ‘test particle' trick by Percus are combined to construct the approximate free energy density functional or its functional derivative. Information about the bulk fluid radial distribution function is integrated into the density functional approximation directly for the first time in the present methodology. The physical foundation of the present methodology also applies to the quantum density functional theory.

Abstract: The universality principle of the free energy density functional and the ‘test particle' trick by Percus are combined to construct the approximate free energy density functional or its functional derivative. Information about the bulk fluid radial distribution function is integrated into the density functional approximation directly for the first time in the present methodology. The physical foundation of the present methodology also applies to the quantum density functional theory.

Key words: density functional theory, free energy density functional

中图分类号: (Thermodynamic functions and equations of state)

05.70.Ce

05.20.Jj (Statistical mechanics of classical fluids) 02.30.Sa (Functional analysis)

周世琦, 张晓琪. Universality principle and the development of classical density functional theory[J]. 中国物理B, 2002, 11(10): 1051-1059.

Zhou Shi-Qi (周世琦), Zhang Xiao-Qi (张晓琪). Universality principle and the development of classical density functional theory[J]. Chinese Physics, 2002, 11(10): 1051-1059.

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Universality principle and the development of classical density functional theory

Universality principle and the development of classical density functional theory

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