PBE and LDA density functional approximations can sometimes outperform more expensive methods.
Is it true that PBE and LDA density functional approximations can sometimes outperform more expensive methods?
Yes. PBE and LDA density functional approximations can sometimes outperform or match more expensive methods while requiring significantly less computational effort.
Verdict: SUPPORTED · 2 sources for, 0 against · Last checked
The retrieved papers include studies showing that lower-cost density functional approximations (like LDA variants and PBE-based schemes) can achieve high accuracy compared to expensive methods such as GW or hybrid functionals, particularly when appropriate corrections or specific properties are evaluated.
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Ribeiro, M. (2015). <i>Ab initio</i> quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort. doi.org. https://doi.org/10.1063/1.4922337
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A, A., R, L., A, J., G, H., N, R., L, M., A, H., & S, d. G. (2026). An Accurate Alternative to Hybrid Functionals for Germanium: DFT+α.. doi.org. https://doi.org/10.1021/acs.jpcc.5c05816
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The retrieved papers include studies showing that lower-cost density functional approximations (like LDA variants and PBE-based schemes) can achieve high accuracy compared to expensive methods such as GW or hybrid functionals, particularly when appropriate corrections or specific properties are evaluated.
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