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Lower Semicontinuity of the Universal Functional in Paramagnetic Current–Density Functional Theory
[Image: see text] 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 semicontinuity and expectation-valuedness of the CDFT constrained-search functional is proven, meaning that th...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7883387/ https://www.ncbi.nlm.nih.gov/pubmed/33522817 http://dx.doi.org/10.1021/acs.jpclett.0c03422 |
Sumario: | [Image: see text] 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 semicontinuity 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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