Dynamics: 1MLCT/3IL, 15 modes
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 conditionsMCTDH/pop.out - reference diabatic populations at the MCTDH levelAFSSH_E, EDC_Eph-plus,...
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| Format: | Data Data |
| Published: |
2019
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.17028/rd.lboro.8075831.v2 |
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