硬核格子气体的无拒绝簇Wang-Landau算法
Rejection-free cluster Wang-Landau algorithm for hard-core lattice gases
摘要：
我们引入了一种无排斥、平坦的直方图、聚类算法来确定硬核晶格气体的态密度。我们表明，该算法是能够有效地采样低熵状态，通常是难以访问，即使当每个粒子的排除量是大的。该算法是基于同时蒸发所有的粒子在一个带和重新占据这些网站与一个新的适当选择的配置。我们实现的算法的特殊情况下的硬核格子气中的第一个k次近邻的粒子被排除被占用。结果表明，该算法在正方形和立方格上都能重现k = 1，2，3时的已知结果.我们还表明，相比之下，相应的平面直方图算法，无论是本地移动或无偏集群移动是不太准确，不收敛的系统大小的增加。
英文摘要：
We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of states of hard-core lattice gases. We show that the algorithm is able to efficiently sample low entropy states that are usually difficult to access, even when the excluded volume per particle is large. The algorithm is based on simultaneously evaporating all the particles in a strip and reoccupying these sites with a new appropriately chosen configuration. We implement the algorithm for the particular case of the hard-core lattice gas in which the first k next-nearest neighbors of a particle are excluded from being occupied. It is shown that the algorithm is able to reproduce the known results for k = 1,2,3 both on the square and cubic lattices. We also show that, in comparison, the corresponding flat histogram algorithms with either local moves or unbiased cluster moves are less accurate and do not converge as the system size increases.
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