Rational approximation to the Fermi-Dirac function with applications in density functional theory (Q633157)
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scientific article; zbMATH DE number 5872587
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Rational approximation to the Fermi-Dirac function with applications in density functional theory |
scientific article; zbMATH DE number 5872587 |
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Rational approximation to the Fermi-Dirac function with applications in density functional theory (English)
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31 March 2011
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diagonal of matrix inverse
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electronic structure calculations
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density functional theory
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continued fraction
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numerical examples
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Fermi-Dirac matrix function
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Hamiltonian matrix
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rational Chebyshev approximation
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sparse direct methods
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