Electronic structure calculations for plane-wave codes without diagonalization (Q1613805)
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scientific article; zbMATH DE number 1794146
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Electronic structure calculations for plane-wave codes without diagonalization |
scientific article; zbMATH DE number 1794146 |
Statements
Electronic structure calculations for plane-wave codes without diagonalization (English)
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2 September 2002
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parallel computation
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algorithm
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computational complexity
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plane-wave codes
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electronic structure
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large Hermitian matrices
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diagonalization
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eigenvalues
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eigenvectors
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Chebyshev-Jackson expansion
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Heaviside function
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Hamiltonian matrix
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matrix-vector products
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0.8376702
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0.8347664
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0.8281694
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0.8170093
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0.81643176
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0.81554514
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0.8119976
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0.81089175
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0.8103201
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