Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems (Q6098548)
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scientific article; zbMATH DE number 7695800
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| English | Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems |
scientific article; zbMATH DE number 7695800 |
Statements
Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems (English)
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14 June 2023
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optimization
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density functional theory
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unitary transformation
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exponential transform
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electronic structure
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0.7485207915306091
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0.7412316203117371
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0.7299521565437317
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0.7235520482063293
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