Trajectories ran in MNDO, LZSH paper 2024
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下载链接：
https://figshare.com/articles/dataset/Trajectories_ran_in_MNDO_LZSH_paper_2024/25524910
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资源简介：
Benchmark fewest switches surface hopping trajectories ran in the MNDO program:
1) Ferro-wire, ODM2/CIS electronic structure
2) Ferro-wire, ODM2/MR-CISD electronic structure
3) Azobenzene, ODM2/MR-CISD electronic structure
创建时间：
2024-06-05
