Weierstrass Institute for Applied Analysis and Stochastics (WIAS)
Published January 23, 2024 | Version v2
Software Open

FSSH-2: Fewest Switches Surface Hopping with robust switching probability

Creators

  • 1. ROR icon Technical University of Munich
  • 2. ROR icon Weierstrass Institute for Applied Analysis and Stochastics

Description

This resource provides the Matlab scripts needed to generate the illustrations of quantum-classical dynamics  as shown in figures 1-5 of the manuscript published as WIAS preprint 3071 and arXiv:2401.10140 by L. Araujo, C. Lasser, and B. Schmidt. 

Note that the Matlab scripts build on version 7.2.1 of our open-source WavePacket software package for quantum dynamics which is freely available via the SourceForge platform.

Notes

This work was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research
Foundation) through project TRR 352 – Project-ID 470903074. Moreover, L. A. acknowledges
support for a research stay at the WIAS in Berlin.

Files

FSSH-2.zip

Files (2.0 MB)

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Additional details

Related works

Is supplement to
Software: 10.20347/WIAS.PREPRINT.3071 (DOI)