论文标题
在具有较强相关性的多电子系统中交换相关孔的副群方法方法
Copula approach to exchange-correlation hole in many-electron systems with strong correlations
论文作者
论文摘要
电子相关是多电子系统中的一个基本话题。为了表征这种相关性，可以介绍交换相关孔的概念。在本文中，我们首先简要重新审视了其与电子和宝石密度的定义以及与概率理论和统计学中副函数的亲密关系。然后，我们提出了一种基于Copula的方法，以估计电子密度的交换相关孔。预计所提出的方案将成为对未来相关的电子结构计算的未来发展的有希望的要素。
Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper, we first briefly revisit its definition and relation to electron and geminal densities, followed by their intimate relations to copula functions in probability theory and statistics. We then propose a copula-based approach to estimate the exchange-correlation hole from the electron density. It is anticipated that the proposed scheme would become a promising ingredient towards the future development of strongly correlated electronic structure calculations.
