Domain decomposition for electronic structure computations

MaRDI QIDQ3601033zbMATH OpenFDO

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

Publication date 9 February 2009

zbMATH Keywords

high parallel scalability

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Applications to the sciences (65Z05)

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Cited in

(7)

• Numerical methods for solving the Hartree-Fock equations of diatomic molecules I
• Numerical methods for solving the Hartree-Fock equations of diatomic molecules. II
• A two-dimensional domain decomposition technique for the simulation of quantum-scale devices
• Domain decomposition and electronic structure computations: a promising approach
• Multilevel domain decomposition for electronic structure calculations
• Analysis of the divide-and-conquer method for electronic structure calculations
• A bond order dissection ANOVA approach for efficient electronic structure calculations

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