Accurate stress calculations based on numerical atomic orbital bases: implementation and benchmarks (Q6098545)
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scientific article; zbMATH DE number 7695796
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| English | Accurate stress calculations based on numerical atomic orbital bases: implementation and benchmarks |
scientific article; zbMATH DE number 7695796 |
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Accurate stress calculations based on numerical atomic orbital bases: implementation and benchmarks (English)
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14 June 2023
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first-principles
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stress
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numerical atomic orbitals
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0.7301070094108582
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0.6734169125556946
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0.6614929437637329
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0.6561475992202759
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