A dissipative real-time TDDFT framework with first-principles electron-phonon collision integrals captures carrier relaxation and valley depolarization in Si and WS2 on femtosecond timescales.
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First-principles electron-phonon scattering in real-time TDDFT
A dissipative real-time TDDFT framework with first-principles electron-phonon collision integrals captures carrier relaxation and valley depolarization in Si and WS2 on femtosecond timescales.