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swMATH18318MaRDI QIDQ30161FDOQ30161

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Cited In (5)

• Numerical methods for Kohn–Sham density functional theory
• A scalable and accurate algorithm for the computation of Hartree-Fock exchange
• Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines
• A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix
• Real-time adaptive finite element solution of time-dependent Kohn-Sham equation

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