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19992026
most citedExchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory

63 citations · 181 across the 11 of their papers we have counts for

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cond-mat.mtrl-sci2026

Optimal transition states for polaron hopping transport without supercells

Vasilii Vasilchenko, Matteo Giantomassi, Samuel Poncé +1

Polaron formation localizes charge carriers and drives a crossover from band-like to hopping transport in materials. Hopping dynamics can be obtained from DFT supercell calculation…