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physics.comp-ph2021
Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains
Patrick Gelß, Rupert Klein, Sebastian Matera +1
We demonstrate how to apply the tensor-train format to solve the time-independent Schrödinger equation for quasi one-dimensional excitonic chain systems with and without periodic b…
physics.comp-ph2019
WavePacket: A Matlab package for numerical quantum dynamics. III: Quantum-classical simulations and surface hopping trajectories
Burkhard Schmidt, Rupert Klein, Leonardo Cancissu Araujo
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Com…