论文标题
密度功能理论中的一些问题
Some Problems in Density Functional Theory
论文作者
论文摘要
尽管基于密度功能理论（DFT）的计算在化学，物理，材料科学和生物分子研究中广泛使用，尽管已经研究了现代的DFT已有近60年的研究，但仍然存在一些数学问题。对于上下文，我们提供了DFT的基本结构的概述，然后就其与时间独立和时间相关的形式提出了几个问题。这些中的任何一个都将有助于发展更好的近似功能和解释。
Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern form of DFT has been studied for almost 60 years, some mathematical problems remain. For context, we provide an outline of the basic structure of DFT, then pose several questions regarding both its time-independent and time-dependent forms. Progress on any of these would aid in development of better approximate functionals and in interpretation.
