A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry

DOI10.1137/040614013zbMath1104.65323OpenAlexW2059907596MaRDI QIDQ5470424

Lihua Shen, Aihui Zhou

Publication date: 30 May 2006

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/040614013

zbMATH Keywords

eigenvaluenumerical examplesfinite elementdefect correctionquantum chemistryHartree-Fock equationhighly accurateself-adjoint elliptic eigenvalues

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Error bounds for boundary value problems involving PDEs (65N15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) 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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