Quantum Molecular Dynamics
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
Items in this Collection
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 ...
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. ...