Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions

Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael
Journal article; PublishedVersion; Peer reviewed
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Year
2019
Permanent link
http://urn.nb.no/URN:NBN:no-75624

CRIStin
1715519

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Original version
Physical Review Letters. 2019, 123 (3):037401, DOI: http://dx.doi.org/10.1103/PhysRevLett.123.037401
Abstract
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ground-state density.