Riemannian Newton methods for energy minimization problems of Kohn-Sham type

DOI10.1007/S10915-024-02612-3zbMATH Open1547.65067MaRDI QIDQ6608077FDOQ6608077

Authors: Robert Altmann, Daniel Peterseim, Tatjana Stykel 

Publication date: 19 September 2024

Published in: Journal of Scientific Computing (Search for Journal in Brave)

zbMATH Keywords

Grassmann manifoldStiefel manifoldNewton methodRiemannian optimizationKohn-Sham modelGross-Pitaevskii eigenvalue problem

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10)

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Cited In (1)

• A scalable two-level domain decomposition eigensolver for periodic Schrödinger eigenstates in anisotropically expanding domains

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