论文标题

通用功能在顺磁电流密度功能理论中的较低半continientiations

Lower semi-continuity of universal functional in paramagnetic current-density functional theory

论文作者

Kvaal, Simen, Laestadius, Andre, Tellgren, Erik I., Helgaker, Trygve U.

论文摘要

证明了其顺磁性公式中电流密度功能理论(CDFT)的基石。在简要概述了CDFT的数学结构之后,证明了CDFT约束搜索功能的较低半持续点和期望值,这意味着在CDFT约束搜索通用密度函数中始终会最小化密度矩阵。这些结果将CDFT的数学框架放在与标准DFT相同的基础上。

A cornerstone of current-density functional theory (CDFT) in its paramagnetic formulation is proven. After a brief outline of the mathematical structure of CDFT, the lower semi-continuity and expectation valuedness of the CDFT constrained-search functional is proven, meaning that there is always a minimizing density matrix in the CDFT constrained-search universal density functional. These results place the mathematical framework of CDFT on the same footing as that of standard DFT.

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