A unified framework for functional theories of quantum systems is introduced via scopes of observables and fixed Hamiltonian parts, enabling general proofs of universal functionals, convexity, differentiability, representability, and Hohenberg-Kohn-type uniqueness across variants.
Penz , author M
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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.
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Unified Framework for Functional Theories of Quantum Systems
A unified framework for functional theories of quantum systems is introduced via scopes of observables and fixed Hamiltonian parts, enabling general proofs of universal functionals, convexity, differentiability, representability, and Hohenberg-Kohn-type uniqueness across variants.
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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.