Separates functional and density-driven DFT errors for three solids using QMC references, finding functional errors usually dominate but with material-dependent exceptions and older GGAs often outperforming newer meta-GGAs.
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2026 1verdicts
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Functional and Density-Driven Errors in Density Functional Theory: Quantum Monte Carlo Benchmarks for Solids
Separates functional and density-driven DFT errors for three solids using QMC references, finding functional errors usually dominate but with material-dependent exceptions and older GGAs often outperforming newer meta-GGAs.