作为度规距离的费米子关联：材料科学的有用工具
Fermionic correlations as metric distances: a useful tool for materials science
摘要：
我们介绍了一种严格的，物理上有吸引力的，和实用的方法来测量交换之间的距离只相互作用的多电子系统，其工作原理，无论其大小和不均匀性。我们表明，这个距离捕获的基本物理特征，如原子元素的周期性，它可以用来有效地和高效地分析密度泛函近似的性能。我们建议，这个指标可以找到有用的应用在高通量材料设计。
英文摘要：
We introduce a rigorous, physically appealing, and practical way to measure distances between exchange-only correlations of interacting many-electron systems, which works regardless of their size and inhomogeneity. We show that this distance captures fundamental physical features such as the periodicity of atomic elements, and that it can be used to effectively and efficiently analyze the performance of density functional approximations. We suggest that this metric can find useful applications in high-throughput materials design.
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