论文标题
密度电位映射的结构。第一部分:标准密度功能理论
The structure of the density-potential mapping. Part I: Standard density-functional theory
论文作者
论文摘要
密度功能理论(DFT)的Hohenberg-Kohn定理被广泛地认为是通过仅一体粒子密度在其基础状态下完全表征电子系统的概念基础。本综述的第一部分旨在阐明DFT内Hohenberg-kohn定理的状态,并在包括磁场的理论的不同扩展处和第二部分。我们收集的证据表明,Hohenberg-Kohn定理并不是DFT的基础,而是更全面的数学框架的结果。在构建广义DFT时,此类结果特别有用。
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at clarifying the status of the Hohenberg-Kohn theorem within DFT and Part II at different extensions of the theory that include magnetic fields. We collect evidence that the Hohenberg-Kohn theorem does not so much form the basis of DFT, but is rather the consequence of a more comprehensive mathematical framework. Such results are especially useful when it comes to the construction of generalized DFTs.