Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations (Q536916)
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scientific article; zbMATH DE number 5901232
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations |
scientific article; zbMATH DE number 5901232 |
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Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations (English)
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31 May 2011
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Gram-Schmidt
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block Gram-Schmidt
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Cholesky
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massive parallelism
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electronic structure calculations
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