Domain decomposition and electronic structure computations: a promising approach

MaRDI QIDQ3526607zbMATH OpenFDO

Authors Guy Bencteux, É. Cancès, William Hager, Maxime Barrault, Claude Le Bris

Publication date 25 September 2008

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Multigrid methods; domain decomposition for initial value and initial-boundary value problems involving PDEs (65M55) Molecular physics (81V55)

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Cited in

(7)

• Towards reduced basis approaches in ab initio electronic structure computations
• A domain decomposition strategy to efficiently solve structures containing repeated patterns
• Domain decomposition for electronic structure computations
• Numerical methods for Kohn–Sham density functional theory
• Numerical methods for solving the Hartree-Fock equations of diatomic molecules I
• Analysis of the divide-and-conquer method for electronic structure calculations
• Multilevel domain decomposition for electronic structure calculations

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