非对称液体混合物径向分布函数的选择性枢轴抽样
Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures
摘要：
本文提出了一种选择性采样径向分布函数和非对称液体混合物有效相互作用势的蒙特卡罗算法。我们证明了其效率的硬球混合物，模型系统更一般的相互作用，并比较我们的模拟与几个分析近似。对于包含硬球贡献的相互作用势，该算法产生径向分布函数的接触值。
英文摘要：
We present a Monte Carlo algorithm for selectively sampling radial distribution functions and effective interaction potentials in asymmetric liquid mixtures. We demonstrate its efficiency for hard-sphere mixtures, and for model systems with more general interactions, and compare our simulations with several analytical approximations. For interaction potentials containing a hard-sphere contribution, the algorithm yields the contact value of the radial distribution function.
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