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Showing 1 to 1 of 1 for “"mixed quantum-classical dynamics"”.

  1. Non-adiabatic electron-ion dynamics in semiconductors under ionizing particle irradiation

    … excitations near the defect affect the dynamics of atoms in the target material. To address the limit imposed by computational cost, we devise a new approach that bridges time scales from ultrafast electron dynamics directly after impact, to ion diffusion. Our results on neutral oxygen …

    uiuc Repository record for Non-adiabatic electron-ion dynamics in semiconductors under ionizing particle irradiation (opens in a new tab)