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Entanglement and density-functional theory: Testing approximations on Hooke's atom

机译:纠缠和密度泛函理论:测试胡克原子的近似值

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摘要

We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial entanglement can be exactly calculated. We analyze how the strength of the confining potential affects the spatial entanglement and how accurately the methods that we introduced reproduce the exact trends. We also compare the results to the outcomes of standard first-order perturbation methods. The accuracies of energies and densities when using these methods are also considered.
机译:我们提出了两种在密度泛函理论框架内计算相互作用电子系统空间纠缠的方法。这些方法在胡克原子模型系统上进行了测试,可以精确计算出空间纠缠度。我们分析了限制电位的强度如何影响空间纠缠,以及我们引入的方法如何准确地再现了精确的趋势。我们还将结果与标准一阶摄动方法的结果进行比较。使用这些方法时,还应考虑能量和密度的准确性。

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