Dynamics: 1MLCT/3IL, 15 modes
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https://figshare.com/articles/dataset/Dynamics_1MLCT_3IL_15_modes/8075831
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资源简介：
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 initital conditions
MCTDH/pop.out - reference diabatic populations at the MCTDH level
AFSSH_E, EDC_Eph-plus, etc. - SHARC runsAFSSH_E/input.new - SHARC input file for AFSSH/EAFSSH_E/pop3.out - Number of trajectories in each MCH state (multiplets summed up) for AFSSH/E
AFSSH_E/pop9.out - Quantum amplitudes in MCH picture (multiplets summed up) for AFSSH/E
AFSSH_E/pop13.out - Transform diagonal populations to MCH states (multiplets summed up) - classical - for AFSSH/EAFSSH_E/pop15.out - Transform diagonal populations to MCH states (multiplets summed up) - mixed quantum/classical - for AFSSH/E
AFSSH_E/pop20.out - Quantum amplitudes in diabatic picture - quantum - for AFSSH/E
AFSSH_E/pop21.out - Quantum amplitudes in diabatic picture - classical - for AFSSH/E
AFSSH_E/pop22.out - Quantum amplitudes in diabatic picture - mixed quantum/classical - for AFSSH/E
创建时间：
2019-07-18
