Archive for Rational Mechanics and Analysis ( IF 2.6 ) Pub Date : 2021-05-06 , DOI: 10.1007/s00205-021-01656-1 Fabio Pusateri , Israel Michael Sigal
The density functional theory (DFT) is a remarkably successful theory of electronic structure of matter. At the foundation of this theory lies the Kohn–Sham (KS) equation. In this paper, we describe the long-time behaviour of the time-dependent KS equation. Assuming weak self-interactions, we prove global existence and scattering in (almost) the full “short-range” regime. This is achieved with new and simple techniques, naturally compatible with the structure of the DFT and involving commutator vector fields and non-abelian versions of Sobolev–Klainerman-type spaces and inequalities.
中文翻译:
时变密度泛函理论的长期行为
密度泛函理论(DFT)是物质电子结构的非常成功的理论。该理论的基础是Kohn-Sham(KS)方程。在本文中,我们描述了时变KS方程的长时间行为。假设微弱的自我互动,我们证明了(几乎)完整的“短程”机制的整体存在和分散性。这是通过新的简单技术实现的,该技术与DFT的结构自然兼容,并且涉及换向器矢量场以及Sobolev–Klainerman型空间和不等式的非阿贝尔版本。