QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing (Q5737748)
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scientific article; zbMATH DE number 6724164
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing |
scientific article; zbMATH DE number 6724164 |
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QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing (English)
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30 May 2017
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QM/MM coupling
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energy-based
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force-based
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convergence rates
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