HARES: An efficient method for first-principles electronic structure calculations of complex systems (Q5944565)
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scientific article; zbMATH DE number 1654701
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| English | HARES: An efficient method for first-principles electronic structure calculations of complex systems |
scientific article; zbMATH DE number 1654701 |
Statements
HARES: An efficient method for first-principles electronic structure calculations of complex systems (English)
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12 May 2002
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real-space electronic structure method
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adaptive grid real-space
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density functional theory
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crystalline solids
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molecules
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blue bronze
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zeolites
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0.7491562366485596
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0.7251216769218445
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0.7119349837303162
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0.6988887190818787
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