A nonnested augmented subspace method for Kohn-Sham equation

DOI10.4208/CICP.OA-2024-0189MaRDI QIDQ6867811zbMATH OpenFDO

Authors Guanghui Hu, Hehu Xie, Fei Xu, Gang Zhao

Publication date 28 January 2026

Published in Communications in Computational Physics (Search for Journal in Brave)

zbMATH Keywords

density functional theoryKohn-Sham equationaugmented subspace methodnonnested mesh

Mathematics Subject Classification ID

Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Acceleration of convergence in numerical analysis (65B99)

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