Depletion interaction between two ellipsoids

Depletion interaction between two ellipsoids
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DOI:
10.1063/1.4870520
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发表时间:
2014-04-21
影响因子:
4.4
通讯作者:
Ma, Hongru
Ma, Hongru
中科院分区:
化学2区
文献类型:
--
作者:
Miao, Han;Li, Yao;Ma, Hongru

文献摘要

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通过Wang-Landau算法的蒙特卡罗模拟和曲率展开近似中的密度泛函理论研究了三种配置中两个椭球体之间的耗尽相互作用。发现了耗尽相互作用的共同特征,结果符合预期。通过比较两种方法的结果,得出结论:曲率展开近似下的密度泛函理论对耗尽力给出了很好的结果。 (C) 2014 AIP 出版有限责任公司。
The depletion interactions between two ellipsoids in three configurations were studied by bothMonte Carlo simulation with the Wang-Landau algorithm and the density functional theory in the curvature expansion approximation. Common features of the depletion interactions were found and the results were as expected. By comparing the results of the two methods, it is concluded that density functional theory under the curvature expansion approximation gave very good results to the depletion forces. (C) 2014 AIP Publishing LLC.