超越Rosenfeld泛函：基本测度理论中的环路贡献
Beyond the Rosenfeld Functional: Loop Contributions in Fundamental Measure Theory
摘要：
Rosenfeld泛函为硬凸粒子系统的流体相的预测提供了极好的结果，但在超过凝固点时失败。这种限制的原因是忽略了粒子直径以外的取向和距离相关性。在当前的文章中，我们解决了这个限制，并推广的基本测量理论的交叉中心的扩展。结果表明，粒子系统的相交概率是由一个代数，罗森菲尔德的权函数表示。对于交叉网络的子图，我们推导出顶点函数，为自由能泛函提供了构建块。通过导出Rosenfeld泛函及其在第三维里阶中精确的导正，说明了它们的应用。进一步，利用这些方法导出了Mayer环图上无穷和的一个近似泛函。比较这一结果白熊马克II功能，我们发现两个结果之间的一般协议。
英文摘要：
The Rosenfeld functional provides excellent results for the prediction of the fluid phase of hard convex particle systems but fails beyond the freezing point. The reason for this limitation is the neglect of orientational and distance correlations beyond the particle diameter. In the current article we resolve this restriction and generalize the fundamental measure theory to an expansion in intersection centers. It is shown that the intersection probability of particle systems is described by an algebra, represented by Rosenfeld's weight functions. For subdiagrams of intersection networks we derive vertex functions that provide the building blocks for the free energy functional. Their application is illustrated by deriving the Rosenfeld functional and its leading correction which is exact in the third virial order. Furthermore, the methods are used to derive an approximate functional for the infinite sum over Mayer ring diagrams. Comparing this result to the White Bear mark II functional, we find general agreement between both results.
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