Monte Carlo values for the radial distribution function of a system of fluid hard spheres
Monte Carlo values for the radial distribution function of a system of fluid hard spheres
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DOI：
10.1080/00268977100101331
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发表时间：
1971
影响因子：
1.7
通讯作者：
J. Barker;D. Henderson
中科院分区：
文献类型：
--
作者：
J. Barker;D. Henderson
在MC计算中，通过N乘以g（R）的计算值N-1来近似补偿周期盒中系统N个分子的有限尺寸似乎是相当常见的。如果读者觉得合适，他可以将我们的值乘以这个因子N= 108，得到大约大1~ o的值。我们通过假设g（R）是R中的三次多项式，将这些结果外推得到g（a）。多项式中的系数通过要求fR ~ R2 g（R）dR= R~ 3-R&I-3g（f ~）（4）来确定。
It appears to be fairly common in MC calculations to compensate approximately for the finite size of the system N molecules in the periodic box by N multiplying the computed values of g (R) by N-1" We perfer not to do this because the theoretical justification for this factor is not rigorous. If the reader feels it appropriate, he may multiply our values by this factor with N= 108 and obtain values which are about 1~ o larger. We have extrapolated these results to obtain g (a) by assuming g (R) to be a cubic polynomial in R. The coefficients in the polynomial were identified by requiring that f R~ R2g (R) dR= R~ 3---R&I-3 g (/~)(4)