Quantum Molecular Dynamics
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Simulation data and code relevant to published research articles in quantum molecular dynamics produced by members of the Applied and Computational Mathematics group.
Image: CC-BY Benjamin Goddard https://doi.org/10.1063/1.4953577
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Wave packet dynamics in the optimal superadiabatic approximation - Matlab code
Matlab code for computation of transitions through avoided crossings using superadiabatic representations. See e.g. Wave packet dynamics in the optimal superadiabatic approximation V. Betz, B. D. Goddard, and U. ... -
Wave packet dynamics in the optimal superadiabatic approximation - Data
Data and figure files for the paper Wave packet dynamics in the optimal superadiabatic approximation V. Betz, B. D. Goddard, and U. Manthe The Journal of Chemical Physics 144, 224109 (2016) doi: 10.1063/1.4953577 Open ...
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