ehrenfest-dynamics

Here are 2 public repositories matching this topic...

PGelss / wave_train

A Python package for numerical quantum mechanics of chain-like systems based on tensor trains

phonons matrix-product-states quantum-dynamics slim-decomposition schroedinger-equation tensor-trains excitons excitonic-energy-transport exciton-phonon-coupling low-rank-tensor-decomposition quantum-classical-dynamics ehrenfest-dynamics

Updated Sep 4, 2024
Python

NQCD / HonGeAnalysis

Star

Julia scripts run and visualise the H atom scattering from Germanium(111) surface simulation via an 1-D analytical non-adiabatic effects embedded model. Reproduction of the conjugate paper's figures.

julia-language molecular-dynamics-simulation anderson-impurity-model ehrenfest-dynamics nonadiabatic-dynamics independent-electron-surface-hoppings makie-plotting

Updated Dec 19, 2025
Julia

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