Dynamics: 1MLCT/3IL, 15 modes
收藏DataCite Commons2020-08-27 更新2025-04-16 收录
下载链接：
https://repository.lboro.ac.uk/articles/Dynamics_1MLCT_3IL_15_modes/8075831/1
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资源简介：
Input and output files of the dynamics using 2<sup>1</sup>MLCT/1<sup>3</sup>IL) and 15 modes.<br><b>PREP</b> - general preparation filesPREP/LVC.template - LVC parameters usedPREP/ref_dyn.bash - script for generating diabatic initital conditions<br>MCTDH/pop.out - reference diabatic populations at the MCTDH level<br><b>AFSSH_E</b>, <b>EDC_Eph-plus</b>, etc. - SHARC runsAFSSH_E/input.new - SHARC input file for AFSSH/<i>E</i>AFSSH_E/pop.out - diabatic populations for AFSSH/<i>E</i>
提供机构：
Loughborough University
创建时间：
2019-05-20
