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arXiv 1111.6964cond-mat.stat-mechcond-mat.softphysics.comp-ph
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事件驱动的一般势函数Monte Carlo算法

Event-driven Monte Carlo algorithm for general potentials

Etienne P. Bernard, Werner Krauth

摘要:

我们将事件链蒙特卡罗算法从硬球相互作用扩展到一般势的微正则系综(恒定势能)。这种事件驱动的蒙特卡罗算法是非局部的,拒绝自由,并允许打破细致平衡。该算法使用离散化的势,但其运行速度是渐近独立的离散。我们实现了截断线性势的算法,并讨论了它在连续极限下的可能实现。

英文摘要:

We extend the event-chain Monte Carlo algorithm from hard-sphere interactions to the micro-canonical ensemble (constant potential energy) for general potentials. This event-driven Monte Carlo algorithm is non-local, rejection-free, and allows for the breaking of detailed balance. The algorithm uses a discretized potential, but its running speed is asymptotically independent of the discretization. We implement the algorithm for the cut-off linear potential, and discuss its possible implementation directly in the continuum limit.

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