Provides tools for carrying out time-dependent transport calculations within the framework of nonequilibrium Greens function theory. Usecases are nanoelectronic device simulation during strong-field excitation. Compatible with TD-DFT. The paper can be found here: https://doi.org/10.1016/j.cpc.2026.110087
dft quantum-mechanics tight-binding negf quantum-transport tddft time-dependent open-system nonequilibrium-greens-functions
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Updated
Oct 25, 2026 - Python