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Ab initio real-time quantum dynamics of charge carriers in momentum space - Nature Computational Science

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Ab initio real-time quantum dynamics of charge carriers in momentum space - Nature Computational Science

Application of the non-adiabatic molecular dynamics (NAMD) approach is limited to studying carrier dynamics in the momentum space, as a supercell is required to sample the phonon excitation and electron–phonon (e–ph) interaction at different momenta in a molecular dynamics simulation.

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Ab initio real-time quantum dynamics of charge carriers in momentum space - Nature Computational Science

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Ab initio real-time quantum dynamics of charge carriers in momentum space - Nature Computational Science

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