This project methodology is composed by 4 sequential steps:
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(i) generation of the nuclear guiding trajectory through Molecular Dynamics (MD);
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(ii) computation of TD-DFT excitations;
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(iii) computation of nonadiabatic couplings (NACs);
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(iv) running the nonadiabatic molecular dynamics (NA-MD). In this way, the four directories contain the inputs and scripts required to run each step + some key outputs and extra scripts for visualizing some of the results.