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硬球混合物的基础测量理论:综述。

Fundamental measure theory for hard-sphere mixtures: a review.

机构信息

Max-Planck-Institut für Metallforschung, Heisenbergstraße 3, 70569 Stuttgart, Germany.

出版信息

J Phys Condens Matter. 2010 Feb 17;22(6):063102. doi: 10.1088/0953-8984/22/6/063102. Epub 2010 Jan 27.

DOI:10.1088/0953-8984/22/6/063102
PMID:21389360
Abstract

Hard-sphere systems are one of the fundamental model systems of statistical physics and represent an important reference system for molecular or colloidal systems with soft repulsive or attractive interactions in addition to hard-core repulsion at short distances. Density functional theory for classical systems, as one of the core theoretical approaches of statistical physics of fluids and solids, has to be able to treat such an important system successfully and accurately. Fundamental measure theory is up to date the most successful and most accurate density functional theory for hard-sphere mixtures. Since its introduction fundamental measure theory has been applied to many problems, tested against computer simulations, and further developed in many respects. The literature on fundamental measure theory is already large and is growing fast. This review aims to provide a starting point for readers new to fundamental measure theory and an overview of important developments.

摘要

硬球系统是统计物理学的基本模型系统之一,除了短程硬心排斥外,还代表了具有软排斥或吸引力相互作用的分子或胶体系统的重要参考系统。经典系统的密度泛函理论作为流体和固体统计物理学的核心理论方法之一,必须能够成功且准确地处理这样一个重要的系统。基本测量理论是迄今为止最成功和最准确的硬球混合物密度泛函理论。自引入以来,基本测量理论已被应用于许多问题,经过计算机模拟测试,并在许多方面得到进一步发展。关于基本测量理论的文献已经很多,并且发展迅速。本文旨在为基本测量理论的新读者提供一个起点,并概述重要的发展。

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