论文标题
电子气的动态响应：朝着精确的交换相关内核
Dynamic Response of an Electron Gas: Towards the Exact Exchange-Correlation Kernel
论文作者
论文摘要
均质电子气体（Jellium模型）中动力学的精确计算对于新材料的设计和表征至关重要。我们引入了基于算法Matsubara集成的图解蒙特卡洛技术，该技术使我们能够使用一系列连接的FEYNMAN图直接在实际频率域中计算频率和动量解决有限温度响应。中等电子密度的电荷响应的数据用于提取有限动量和温度下的交换相关内核的频率依赖性。这些结果对于材料动力学的时间依赖性密度功能理论的开发与基础态能量对密度功能理论一样重要。
Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic Matsubara integration that allows us to compute frequency and momentum resolved finite temperature response directly in the real frequency domain using series of connected Feynman diagrams. The data for charge response at moderate electron density are used to extract the frequency dependence of the exchange-correlation kernel at finite momenta and temperature. These results are as important for development of the time-dependent density functional theory for materials dynamics as ground state energies are for the density functional theory.
