Input and output files of the dynamics using all states and 15 modes. PREP - general preparation filesPREP/LVC.template - LVC parameters usedPREP/ref_dyn.bash - script for generating diabati
Data associated with the paper entitled On application of Deep Learning to simplified quantum-classical dynamics in electronically excited states Three TD-DFTB datasets (sX_10_force.db) have b
The dataset contains the spreadsheets, hi-resolution images and raw research data associated with our paper: 'Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulati
Input and output files of the dynamics using 21MLCT/13IL) and 15 modes.PREP - general preparation filesPREP/LVC.template - LVC parameters usedPREP/ref_dyn.bash - script for generating diabatic initita
