非齐次二体关联函数的基本测度理论
Fundamental measure theory of inhomogeneous two-body correlation functions
摘要：
对于三维硬球模型，我们研究了Rosenfeld基本测度理论预言的非均匀两体关联。对于密度具有平面或球面对称性的特殊情况，我们分别给出了非齐次两体直接关联函数的Hankel和Legendre变换的解析公式作为密度的显式泛函。当与Ornstein-Zernike关系相结合时，我们的分析结果可以快速计算实空间中的非均匀硬球密度相关。这些不仅提供了有关硬球系统的包装结构的信息，但也形成了一个必要的积木构建更现实的模型的微扰理论。
英文摘要：
For the three-dimensional hard-sphere model we investigate the inhomogeneous two-body correlations predicted by Rosenfeld's fundamental measure theory. For the special cases in which the density has either planar or spherical symmetry we provide analytic formulae for the Hankel and Legendre transforms, respectively, of the inhomogeneous two-body direct correlation function as explicit functionals of the density. When combined with the Ornstein-Zernike relation our analytical results allow for rapid calculation of inhomogeneous hard-sphere density correlations in real-space. These provide not only information about the packing structures of the hard-sphere system, but also form an essential building-block for constructing perturbation theories of more realistic models.
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