Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations

DOI10.1137/090757046zbMath1233.65082OpenAlexW1986574273MaRDI QIDQ3009305

Dier Zhang, Xin-Gao Gong, Xiaoying Dai, Zhang Yang, Aihui Zhou

Publication date: 24 June 2011

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/090757046

zbMATH Keywords

algorithmfinite element methodfinite volume methodlinearizationparallel computationerror analysisRayleigh quotienteigenfunctionsnonlinear eigenvalue problemelectronic structure calculationsKohn-Sham equation

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Error bounds for boundary value problems involving PDEs (65N15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Finite volume methods for boundary value problems involving PDEs (65N08)

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