有限金属系统库仑关联的可视化
Visualization of Coulomb Correlations in Finite Metallic Systems
摘要：
我们提出了一个解析的分析方法，以找到有效的静电势和库仑相关的多中心问题，特别是均匀和掺杂的金属原子团簇。该方法是基于准经典的密度泛函处理。我们专注于我们的研究结果的解释方面，特别是在提取洞察力的库仑相关性的几何效应，任何给定的空间配置的离子核心。对于单掺杂的金属团簇，我们得到了一个直接的可视化的屏蔽和库仑关联的变化与掺杂剂原子的位置的变化。这种分析提供了一种方法来解释最近的观察金属团簇的组成和几何形状的变化的物理性质的变化。
英文摘要：
We present an analytic ansatz to find the effective electrostatic potential and Coulomb correlations in multicenter problems, specifically homogeneous and doped clusters of metal atoms. The approach is based on a quasi-classical density-functional treatment. We focus on the interpretive aspect of our findings, particularly on extracting insight regarding the geometric effects of Coulomb correlations for any given spatial disposition of ionic cores. For singly-doped metallic clusters we obtain a direct visualization of the variations of both screening and Coulomb correlations with changes of location of the dopant atom. This analysis provides a way to interpret recent observations of the variability of physical properties of metal clusters with changes of composition and geometry.
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