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Zeitschriftenartikel (3)
2020
Zeitschriftenartikel
A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations
F. Bonafé, , , , , ,
Journal of Chemical Theory and Computation 16 (7), 4454–4469 (2020)
Zeitschriftenartikel
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
F. Bonafé, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , ,
, , , The Journal of Chemical Physics 152 (12), 124101 (2020)
Zeitschriftenartikel
Quantitative sampling of atomic-scale electromagnetic waveforms , , , , , ,
Nature Photonics xx (xx), xx-xx (2020)