Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory
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Publication:2870691
DOI10.1137/120880604zbMath1284.82009arXiv1206.2225OpenAlexW2963649064MaRDI QIDQ2870691
Publication date: 21 January 2014
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1206.2225
fixed point iterationKohn-Sham density functional theoryself-consistent field iterationelliptic preconditioner
NLS equations (nonlinear Schrödinger equations) (35Q55) Statistical mechanics of metals (82D35) Numerical solutions to equations with nonlinear operators (65J15) Applications to the sciences (65Z05) Preconditioners for iterative methods (65F08)
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