Concepedia

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

Markus Penz, Andre Laestadius, Erik I. Tellgren, Michael Ruggenthaler

Physical Review Letters · 2019 · 32 citations · 29 references

DOIFull text

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Concepts

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.

References

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