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Temperature expansions in the square-shoulder fluid. I. The Wiener–Hopf function
The Journal of Chemical Physics ( IF 4.4 ) Pub Date : 2020-03-27 , DOI: 10.1063/1.5142661
O. Coquand 1 , M. Sperl 1, 2
Affiliation  

We investigate the spatial structure of dense square-shoulder fluids. To this end, we derive analytical perturbative solutions of the Ornstein–Zernike equation in the low- and high-temperature limits as expansions around the known hard sphere solutions. We then discuss the suitability of perturbative approaches in relation to the Ornstein–Zernike equation. Our analytical expressions are shown to reproduce reasonably well numerical data in the appropriate regimes.

中文翻译:

方肩流体中的温度膨胀。I.维纳-霍普夫函数

我们研究了稠密方肩流体的空间结构。为此,我们在低温和高温极限条件下推导了Ornstein-Zernike方程的解析扰动解,作为围绕已知硬球解的扩展。然后,我们讨论与Ornstein–Zernike方程有关的摄动方法的适用性。结果表明,我们的分析表达式在适当的范围内可以很好地再现数值数据。
更新日期:2020-03-31
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