A Stoner-inspired preconditioner based on non-interacting susceptibility that neglects orbital variations reduces SCF iterations in magnetic KS-DFT near phase transitions.
Herbst and Antoine Levitt and Eric Cancès , title =
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Presents a Moreau-Yosida regularized inversion framework in periodic Sobolev spaces to recover Kohn-Sham exchange-correlation potentials via proximal mapping and limiting procedure.
Moreau-Yosida regularization supplies a convex-analysis tool that reformulates density-functional theory, defines Kohn-Sham systems rigorously, and connects to field theories through topology.
citing papers explorer
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Preconditioning Magnetic Systems in Kohn-Sham Density Functional Theory
A Stoner-inspired preconditioner based on non-interacting susceptibility that neglects orbital variations reduces SCF iterations in magnetic KS-DFT near phase transitions.
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Moreau-Yosida-based Kohn-Sham Inversion for Periodic Systems
Presents a Moreau-Yosida regularized inversion framework in periodic Sobolev spaces to recover Kohn-Sham exchange-correlation potentials via proximal mapping and limiting procedure.
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Perspective on Moreau-Yosida Regularization in Density-Functional Theory
Moreau-Yosida regularization supplies a convex-analysis tool that reformulates density-functional theory, defines Kohn-Sham systems rigorously, and connects to field theories through topology.