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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Excited states of weakly bound bosonic clusters: Discrete variable representation and quantum Monte Carlo
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Excited states of weakly bound bosonic clusters: Discrete variable representation and quantum Monte Carlo

机译:弱束缚的玻色子团簇的激发态:离散变量表示和量子蒙特卡洛

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摘要

We compare two approaches for the accurate calculation of the energy levels of weakly bound boson trimers. The first approach is based on correlation function Monte Carlo employing optimized trial functions, while the second approach is based on the discrete variable representation. A trimer with atoms of half the mass of neon is used as a test problem for benchmark calculations. The two approaches yield identical results, within error bars, for all the J = 0 energy levels below the dissociation threshold. The relative merits of the two techniques are discussed, and a perspective is given for extension to larger clusters.
机译:我们比较两种方法来精确计算弱束缚玻色子三聚体的能级。第一种方法基于采用优化试验函数的相关函数Monte Carlo,而第二种方法则基于离散变量表示。原子质量为霓虹灯质量一半的三聚体用作基准计算的测试问题。对于低于解离阈值的所有J = 0能级,这两种方法在误差条内产生相同的结果。讨论了这两种技术的相对优点,并给出了扩展到更大群集的视角。

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