论文标题
通过功能 - 固定化组辅助密度理论的电子系统的能量密度的始终构建功能
Ab initio construction of the energy density functional for electron systems with the functional-renormalization-group-aided density functional theory
论文作者
论文摘要
我们使用功能重归其化组显示了电子系统的能量密度功能（EDF）的$ \ textit {ab intio} $构建能量密度功能（EDF）。我们框架中给出的均质电子气体的相关能量在高密度下重现了确切的行为，并与蒙特卡罗数据一致。我们的分析技术使我们能够有效地获得各种密度的相关能，从而实现了局部密度近似（LDA）中EDF的确定，而无需对物理相关的密度拟合。我们的EDF适用于贵重原子的Kohn-Sham计算，与LDA中其他常规的EDF显示出可比的结果。
We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce the exact behavior at high density and agree with the Monte-Carlo data in a wide range of densities. Our analytic technique enables us to get the correlation energies efficiently for various densities, which realizes the determination of EDF in the local density approximation (LDA) without any fitting for physically relevant densities. Applied to the Kohn-Sham calculation for the noble gas atoms, our EDF shows comparable results to those of other conventional ones in LDA.
