论文标题
瞬态均匀电子气体
Transient Uniform Electron Gases
论文作者
论文摘要
均匀的电子气体（UEG）是一种假设系统，具有有限的同质电子密度，由无限数量的无限体积中的无限电子组成，是密度功能理论（DFT）的实用支柱，是最受欢迎的DFT近似值，位置密度近似（LDA）的基础。在过去的三十年中，无限UEG（IUEG）交换相关能量的分析参数知识使研究人员可以对原子，分子和固体进行无数次数的近似电子结构计算。最近，已经表明，IUEG的传统概念并不是UEG的独特示例，并且系统以其最低的能量状态，由局限于球体表面的电子组成，提供了一个具有更可定制属性的UEG家族。在这里，我们表明，与这些系统相关的某些激发态可以分类为瞬态UEG（TUEGS），因为它们的电子密度仅对球体半径的非常特异性的值也是同质的，即使电子波函数不是旋转不变的。在两电子系统的情况下提供了具体示例。
The uniform electron gas (UEG), a hypothetical system with finite homogenous electron density composed by an infinite number of electrons in a box of infinite volume, is the practical pillar of density-functional theory (DFT) and the foundation of the most acclaimed approximation of DFT, the local-density approximation (LDA). In the last thirty years, the knowledge of analytical parametrizations of the infinite UEG (IUEG) exchange-correlation energy has allowed researchers to perform a countless number of approximate electronic structure calculations for atoms, molecules, and solids. Recently, it has been shown that the traditional concept of the IUEG is not the unique example of UEGs, and systems, in their lowest-energy state, consisting of electrons that are confined to the surface of a sphere provide a new family of UEGs with more customizable properties. Here, we show that, some of the excited states associated with these systems can be classified as transient UEGs (TUEGs) as their electron density is only homogenous for very specific values of the radius of the sphere even though the electronic wave function is not rotationally invariant. Concrete examples are provided in the case of two-electron systems.
