Accurate surface and adsorption energies from many-body perturbation theory
Although density functional theory is widely used in surface science, it has a tendency to predict surfaces to be more stable than they actually are experimentally. Using a many-electron approach such as the random-phase approximation enables accurate surface and adsorption energies for carbon monox...
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Veröffentlicht in: | Nature materials 2010-09, Vol.9 (9), p.741-744 |
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Format: | Artikel |
Sprache: | eng |
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