eQE 2.0: subsystem DFT beyond GGA functionals (Q6162094)

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scientific article; zbMATH DE number 7696178
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eQE 2.0: subsystem DFT beyond GGA functionals
scientific article; zbMATH DE number 7696178

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    eQE 2.0: subsystem DFT beyond GGA functionals (English)
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    15 June 2023
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    electronic structure
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    density-functional theory
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    subsystem density functional theory
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    parallel computing
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    embedding
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