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Double-hybrid density-functional theory with density-based basis-set correction

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Theoretical development shows efficient basis convergence in double-hybrid approximations, suggesting uniform scaling implications.

The density-based basis-set correction method accelerates basis convergence significantly.
Test calculations reveal that neglecting the uniform coordinate scaling provides reasonable approximations.
Focus on coupling-constant parameter shows exact dependence of the basis-set correction functional.
Application covers molecular atomization energies and reaction barrier heights effectively.

Znaïda et al. (2025) studied this question.

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