Lower Semicontinuity of the Universal Functional in Paramagnetic Current–Density Functional Theory
Open Access
- 1 February 2021
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 12 (5), 1421-1425
- https://doi.org/10.1021/acs.jpclett.0c03422
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.Funding Information
- Norges Forskningsr?d (262695, 287906)
- H2020 European Research Council (639508)
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