论文标题
Wigner本地化的有限元配置交互方法
A Finite Element Configuration Interaction Method for Wigner Localization
论文作者
论文摘要
当电子在平衡位置周围急剧定位时，Wigner定位是低密度的电子相。 Wigner定位现象的模拟需要仔细处理多体相关性，因为电子电子相互作用主导了系统。这项工作提出了一种数值算法，以研究Wigner分子的电子接地态。我们算法的主要特征是三个方面：（i）单体空间的有限元离散化，因此可以捕获尖锐的定位； （ii）通过利用强相关极限来获得的良好初始状态； （iii）通过（随机）梯度选择Slater决定因素，一种选择的配置相互作用方法。提供了一些典型的一维量子线和二维圆形量子点的数值实验，以显示我们算法的效率。
The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization phenomenon requires careful treatment of the many-body correlations, as the electron-electron interaction dominates the system. This work proposes a numerical algorithm to study the electron ground states of the Wigner molecules. The main features of our algorithm are three-fold: (i) a finite element discretization of the one-body space such that the sharp localization can be captured; (ii) a good initial state obtained by exploiting the strongly correlated limit; and (iii) a selected configuration interaction method by choosing the Slater determinants from (stochastic) gradients. Numerical experiments for some typical one-dimensional quantum wires and two-dimensional circular quantum dots are provided to show the efficiency of our algorithm.
