广义Kohn-Sham理论时代的电流密度泛函理论
Current density functional theory in the age of generalized Kohn-Sham theories
AI总结：
本文回顾了电流密度泛函理论从原始表述到广义Kohn-Sham理论的演变，并提出了结合交换关联矢量势与有效质量项的新方程形式。
AI中文摘要：
我回顾了电子非相对论电流密度泛函理论（CDFT）从20世纪80年代末的原始表述到当今依赖于广义Kohn-Sham理论的表述的演变过程。全程突出了Axel Becke的杰出贡献。我提出了一种广义Kohn-Sham方程的形式，该形式将原始表述中的交换关联矢量势与一个“有效质量项”相结合——后者源于将Becke的动能密度作为交换关联能量泛函的基本输入。
英文摘要：
I review the evolution of electronic non-relativistic current density functional theory (CDFT) from its original formulation in the late 1980's to present day's formulations, which rely on the generalized Kohn-Sham theory. Axel Becke's outstanding contributions are highlighted throughout. I propose a form of the generalized Kohn-Sham equation that combines the exchange-correlation vector potential of the original formulation with an ``effective mass term" -- the latter following from the inclusion of Becke's kinetic energy density as a basic input of the exchange-correlation energy functional.
