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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
refutedsupported
the weight of evidence
2 sources for · 0 against

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.

Evidence for · 2
2025 · cited by 7
Paper [0] notes that double hybrid density functionals demand careful treatment of the frozen-core approximation in certain non-trivial chemical systems.
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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]).

More for · 1
2026 · cited by 1
Paper [10] shows that dynamical core excitations, which are conventionally frozen out by the frozen-core approximation, lead to significant failures (e.g., a 20-35% band discrepancy) in alkali and alkaline-earth metals.
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first checked04 Aug 2026
judged → SUPPORTED · 8104 Aug 2026
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