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most citedAttosecond Coherent Electron Motion in a Photoionized Aromatic Molecule

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cond-mat.mtrl-sci2026

Efficient nonequilibrium electron dynamics from first-principles: leveraging Koopmans spectral functionals and Wannier localization

Giovanni Cistaro, Miguel Sá, Davide Sangalli +2

We present an efficient first-principles approach for simulating the nonequilibrium electron dynamics in extended systems beyond the linear regime. The method combines Koopmans-com…