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the claim

The frozen core approximation is invalid in certain non-trivial chemical systems

the verdict
SUPPORTED
the evidence backs this
Recorded sources
2 sources for · 0 against

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Is it true that the frozen core approximation is invalid in certain non-trivial chemical systems?

Yes. The frozen-core approximation can be invalid or lead to significant errors in non-trivial chemical systems where dynamical core excitations or specific electronic properties play an important role.

Verdict: SUPPORTED · 2 sources for, 0 against · Last checked

The analysis

The retrieved literature contains specific studies demonstrating that the standard frozen-core approximation fails or requires careful treatment in certain chemical regimes, such as alkali metal band structures where dynamical core effects are non-negligible (Paper [10]) and double-hybrid density functional calculations (Paper [0]).

Evidence for · 2
Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals.
2025
Get citation
J, L. & M, H. (2025). Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals.. doi.org. https://doi.org/10.1021/acs.jctc.5c01380

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More for · 1
Kohn-Sham Hamiltonian from Effective Field Theory: Quasiparticle Band Narrowing from Frozen Core Dynamics
2026
Get citation
Cai, X., Wang, H., & Chen, K. (2026). Kohn-Sham Hamiltonian from Effective Field Theory: Quasiparticle Band Narrowing from Frozen Core Dynamics. doi.org. https://doi.org/10.48550/arXiv.2604.25199

Receipt History
first checked04 Aug 2026
judged → SUPPORTED · 8104 Aug 2026
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