Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018)
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scientific article; zbMATH DE number 6663148
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| English | Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators |
scientific article; zbMATH DE number 6663148 |
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Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (English)
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14 December 2016
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density functional theory
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spectral quadrature
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Clenshaw-Curtis
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linear-scaling
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metallic systems
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atomic forces
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0.7609646320343018
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0.7593744397163391
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0.7580468058586121
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0.7518073320388794
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