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Communication: Fundamental measure theory for hard disks: Fluid and solid

机译:通讯:硬盘的基本度量理论:流体和固体

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Two-dimensional hard-particle systems are rather easy to simulate but surprisingly difficult to treat by theory. Despite their importance from both theoretical and experimental points of view, theoretical approaches are usually qualitative or at best semi-quantitative. Here, we present a density functional theory based on the ideas of fundamental measure theory for two-dimensional hard-disk mixtures, which allows for the first time an accurate description of the structure of the dense fluid and the equation of state for the solid phase within the framework of density functional theory. The properties of the solid phase are obtained by freely minimizing the functional.
机译:二维硬质粒子系统相当容易模拟,但是出乎意料地难以通过理论进行处理。尽管从理论和实验的角度来看它们都很重要,但是理论方法通常是定性的,或者最好是半定量的。在这里,我们基于二维硬盘混合物基本测量理论的思想,提出了一种密度泛函理论,这首次允许对致密流体的结构和固相状态方程进行准确的描述。在密度泛函理论的框架内。固相的性质是通过自由地使官能度最小化而获得的。

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