Three-Scale Finite Element Discretizations for Quantum Eigenvalue Problems

DOI10.1137/06067780XzbMath1160.65060OpenAlexW1991232552MaRDI QIDQ3614180

Aihui Zhou, Xiaoying Dai

Publication date: 16 March 2009

Published in: SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/06067780x

zbMATH Keywords

numerical examplesfinite elementparallel computationquantum chemistryground state energyKohn-Sham equationlocal computationquantum eigenvalue problemsthree-scale

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Error bounds for boundary value problems involving PDEs (65N15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) PDEs in connection with quantum mechanics (35Q40) Parallel numerical computation (65Y05) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

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