Lower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory.
J Phys Chem Lett
; 12(5): 1421-1425, 2021 Feb 11.
Article
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| MEDLINE
| ID: mdl-33522817
ABSTRACT
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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MEDLINE
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En
Revista:
J Phys Chem Lett
Año:
2021
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Article
País de afiliación:
Noruega