Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory (Q4591475)
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scientific article; zbMATH DE number 6808489
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| English | Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory |
scientific article; zbMATH DE number 6808489 |
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Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory (English)
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17 November 2017
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frozen-density embedding
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density-functional theory
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kinetic-energy functionals
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Kohn-Sham equations with constraint electron density
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0.80418456
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0.80126715
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0.79654264
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0.77571356
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0.77366936
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0.77366936
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0.7667553
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