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吸着エネルギー精度検証
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関係者限り
corr: 0.993
MAE: 0.080 eV
RMSE: 0.103 eV
Reference: A benchmark database for adsorption bond energies to
transition metal surfaces and comparison to selected DFT functionals, Jess
Wellendorff et al., Surface Science, 2015, 640, 36
https://www.sciencedirect.com/science/article/abs/pii/S00396028150008
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