论文标题
时间依赖性密度功能理论中的确切交换相关潜力：带台阶和峰的编舞电子
The Exact Exchange-Correlation Potential in Time-Dependent Density Functional Theory: Choreographing Electrons with Steps and Peaks
论文作者
论文摘要
时间依赖性的交换相关势在指导虚拟的非相互作用电子以与真实相互作用电子完全相同的概率密度移动时，具有一项与众不同的任务。这对其结构具有有趣的含义，尤其是在非扰动状态下，导致无法通过引导任何地面态功能近似值来捕获的台阶和峰值特征。我们回顾了过去十年左右的时间依赖性密度功能理论的确切交换相关潜力中了解的这些特征的知识，当电子驱动到远离任何基本国家时，对模拟的性能的影响。
The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for its structure, especially in the non-perturbative regime, leading to step and peak features that cannot be captured by bootstrapping any ground-state functional approximations. We review what has been learned about these features in the exact exchange-correlation potential in time-dependent density functional theory in the past decade or so, and implications for the performance of simulations when electrons are driven far from any ground-state.
