The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (Q6040761)
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scientific article; zbMATH DE number 7687563
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | 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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