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T. Gawne

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Preprint Sep 2026

Nonempirical Time-Dependent Density Functional Theory Framework for Nonlocal Exchange--Correlation Potentials

Advanced, orbital-dependent exchange--correlation (XC) functionals can significantly improve the description of electronic structural properties, but they substantially worsen spectral properties that are computed within standard linear-response time-dependent density functional theory frameworks. This is not a failure...

Z. Moldabekov, M. Pavanello, T. Gawne et al. · 0 citations

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