一种配分函数估计器
A Partition Function Estimator
AI总结：
本文提出一种基于有限正则系综采样并引入体积修正项的配分函数估计器，在多个模型系统上与数值精确解高度一致，验证了高效计算配分函数的可行性。
摘要：
我们提出一种简单的估计器，允许从系统正则系综的有限采样中计算系统配分函数的绝对值。该估计器利用体积修正项来补偿有限采样无法覆盖整个构型空间的影响。作为概念验证，将该估计器应用于计算若干模型系统的配分函数，并将结果与数值精确解进行比较。发现二者高度一致，表明高效计算配分函数的解决方案是可行的。
英文摘要：
We propose a simple estimator that allows to calculate the absolute value of a system's partition function from a finite sampling of its canonical ensemble. The estimator utilizes a volume correction term to compensate the effect that the finite sampling cannot cover the whole configuration space. As a proof of concept, the estimator is applied to calculate the partition function for several model systems, and the results are compared with the numerically exact solutions. Excellent agreement is found, demonstrating that a solution for an efficient calculation of partition functions is possible.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
