Self-consistent-field calculations using Chebyshev-filtered subspace iteration
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Publication:856382
DOI10.1016/j.jcp.2006.03.017zbMath1105.65111OpenAlexW2160089699MaRDI QIDQ856382
James R. Chelikowsky, Yunkai Zhou, Murilo L. Tiago, Yousef Saad
Publication date: 7 December 2006
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.113.1100
eigenvalueeigenproblemnumerical examplesinvariant subspacedensity functional theoryKohn-Sham equationsChebyshev polynomial filtersubspace iterationreal-space pseudopotentialself-consistent-field iteration
Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Estimates of eigenvalues in context of PDEs (35P15) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)
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