Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory (Q6041037)
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scientific article; zbMATH DE number 7689040
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| English | Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory |
scientific article; zbMATH DE number 7689040 |
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Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory (English)
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25 May 2023
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density-functional perturbation theory
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linear scaling
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MPI
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numeric atomic orbitals
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density-function theory
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