Trajectories ran in MNDO, LZSH paper 2024
收藏Figshare2024-06-05 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Trajectories_ran_in_MNDO_LZSH_paper_2024/25524910/1
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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
提供机构：
Martyka, Mikołaj; Dral, Pavlo O.; Zhang, Lina
创建时间：
2024-06-05
