Noise Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods
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arXiv
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| Auteurs principaux: | Gubler, Moritz, Finkler, Jonas A., Jensen, Stig Rune, Goedecker, Stefan, Frediani, Luca |
|---|---|
| Format: | Preprint |
| Publié: |
2024
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