Very large electronic structure calculations using an out-of-core filter-diagonalization method (Q697775)
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scientific article; zbMATH DE number 1801863
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| English | Very large electronic structure calculations using an out-of-core filter-diagonalization method |
scientific article; zbMATH DE number 1801863 |
Statements
Very large electronic structure calculations using an out-of-core filter-diagonalization method (English)
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17 September 2002
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one-electron pseudopotential-based methods
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Householder QR orthogonalization method
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0.7201787829399109
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0.7176584005355835
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0.7057030200958252
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0.7050108313560486
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