The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (Q6040761): Difference between revisions

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Revision as of 11:13, 30 July 2024

scientific article; zbMATH DE number 7687563
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The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package
scientific article; zbMATH DE number 7687563

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    The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (English)
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    22 May 2023
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    density-functional theory
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    Hartree-Fock
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    hybrid functionals
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    numeric atomic orbitals
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    linear scaling
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    MPI
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