顺磁流中泛泛函的下半连续性--密度泛函理论
Lower semi-continuity of universal functional in paramagnetic current-density functional theory
摘要:
电流密度泛函理论(CDFT)在其顺磁配方的基石被证明。在简要介绍CDFT的数学结构后,证明了CDFT约束搜索泛密度泛函的下半连续性和期望值性,即CDFT约束搜索泛密度泛函中始终存在最小化的密度矩阵。这些结果将CDFT的数学框架置于与标准DFT相同的基础上。
英文摘要:
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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