A molecular theory for freezing: Comparison of theories, and results for hard spheres
A molecular theory for freezing: Comparison of theories, and results for hard spheres
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DOI：
10.1063/1.450476
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发表时间：
1986-02
影响因子：
4.4
通讯作者：
A. Haymet;D. Oxtoby
中科院分区：
文献类型：
--
作者：
A. Haymet;D. Oxtoby
我们回顾了现代密度泛函理论的冻结，并比较不同版本的it.New结果冻结硬球作为输入一个非常准确的，经验的结构因子。这些计算结果与计算机模拟的结果是一致的。还显示正确的固相密度。
We review the modern density functional theory of freezing, and compare different versions of it. New results for the freezing of hard spheres are presented using as input a very accurate, empirical structure factor. The results of these calculations are in good agreement with the results of computer simulations. The correct solid phase density is also displayed.