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Elliptic preconditioner for accelerating the self-consistent field iteration in Kohn-Sham density functional theory. (English) Zbl 1284.82009

MSC:
82-08 Computational methods (statistical mechanics) (MSC2010)
65F08 Preconditioners for iterative methods
65J15 Numerical solutions to equations with nonlinear operators
65Z05 Applications to the sciences
35Q55 NLS equations (nonlinear Schrödinger equations)
82D35 Statistical mechanics of metals
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