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by vi_sextus_vi
4 days ago
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This is conventional DFT which is O(N^3) Original paper, not a single equation: https://web.archive.org/web/20240129185108/https://www.owlne... The N^3 is further reduced by high symmetry. Because structure relaxations are usually convergent, the 2007 DFT and MD calculations can be run on a regular laptop today, maybe even without a GPU! The discrepancy has been exaggerated by the experimentalist, TFA quotes the original theorist. This is not the first time, and probably not the last time, that c&en has oversold an experimental result. |
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