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Dávid Mester

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Open access Oct 2026

Multiplicative Error Analysis: A Scale-Invariant View of TDDFT Two-Photon Absorption Benchmarks

Two-photon absorption (2PA) strengths span several orders of magnitude, yet time-dependent density functional theory (TDDFT) benchmark studies have commonly relied on raw-scale mean absolute errors and linear regression statistics. Such statistics can be dominated by the most intense transitions and do not distinguis...

Dávid Mester, Mihály Kállay · 0 citations

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