论文标题
一百万个颗粒通过角度 - 平均埃瓦尔德电位的一个组分等离子体：一项蒙特卡洛研究
One--Component Plasma of a Million Particles via angular--averaged Ewald potential: A Monte Carlo study
论文作者
论文摘要
在这项工作中，我们通过Angular-Averaged Ewald电位（AAEP）得出了一个正确的表达式（OCP）能量的正确表达。与E.〜 Yakub和C.〜Ronchi不同（J. Low Temp。Phys。139，633（2005）），他们试图从两种组分的等离子体模型中获得相同的能量表达，我们使用了OCP的原始Ewald潜力。使用弱耦合极限的簇扩展确定AAEP中的常数。电势具有适合有效数值模拟的简单形式。为了证明AAEP的优势，我们为OCP进行了许多蒙特 - 卡洛模拟，其中具有多达一百万个粒子的耦合参数。我们的计算至少要比传统的埃瓦尔德潜力的计算更有效。为确定整个研究范围内的热力学极限提供了一种统一的方法。我们的结果与弱耦合OCP和以前的数值模拟的理论数据非常吻合。我们希望AAEP将在均匀电子气体的路径积分蒙特卡洛模拟中有用。
In this work, we derive a correct expression for the one--component plasma (OCP) energy via the angular--averaged Ewald potential (AAEP). Unlike E.~Yakub and C.~Ronchi (J. Low Temp. Phys. 139, 633 (2005)), who had tried to obtain the same energy expression from a two--component plasma model, we used the original Ewald potential for an OCP. A constant in the AAEP was determined using the cluster expansion in the limit of weak coupling. The potential has a simple form suitable for effective numerical simulations. To demonstrate the advantages of the AAEP, we performed a number of Monte--Carlo simulations for an OCP with up to a million particles in a wide range of the coupling parameter. Our computations turned out at least two orders of magnitude more effective than those with a traditional Ewald potential. A unified approach is offered for the determination of the thermodynamic limit in the whole investigated range. Our results are in good agreement with both theoretical data for a weakly coupled OCP and previous numerical simulations. We hope that the AAEP will be useful in path integral Monte Carlo simulations of the uniform electron gas.
