On the basis of Monte Carlo simulations, configurations and pair and triplet correlation functions for a Lennard-Jones fluid are reported over a large range of densities and temperatures (0.002 ≤ ρ^* ≤ 1.41 and 0.45 ≤ T^* ≤ 25, dimensionless). In total, data for 27 615 ρ^*–T^*-state points including 750 configurations for each state point are used for the calculation of the pair and triplet correlation functions. For the pair configuration function, an approximation over the whole set of state points is provided, which reproduces the pair configuration with high accuracy (3σ < 0.0075). The results for the triplet configuration functions are compared to the Kirkwood superposition approximation. With the exception of low ρ^* (<0.3), the application of the Kirkwood superposition approximation seems not to be a proper choice, showing errors >20%. The configurations and pair and triplet correlation functions of all simulations are openly accessible and can be used as a reference for future theoretical developments of Lennard-Jones fluids and, especially, the liquid state.

中文翻译：

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伦纳德·琼斯流体ρ*≤1.41和T *≤25的成对和三重相关函数的计算

上的基础蒙特卡罗模拟，配置和对重态和三重相关函数为一个的Lennard -琼斯流体报道在大范围的密度和温度的（0.002≤ ρ ^* ≤1.41和0.45≤ Ť ^* ≤25，无量纲）。总共27 615数据ρ ^* - Ť ^*被用于的一对和三线态的相关性函数的计算-state点，包括750个配置对于每个状态点。对于结对配置功能，提供了整个状态点集合的近似值，从而以较高的精度（3σ）重现了结对配置。<0.0075）。将三重态配置函数的结果与Kirkwood叠加近似进行比较。除了低ρ ^*（<0.3）以外，柯克伍德叠加逼近的应用似乎不是一个正确的选择，其误差> 20％。所有模拟的配置以及成对和三重态相关函数都可以公开访问，并且可以作为Lennard - Jones流体，尤其是液态的未来理论发展的参考。