Spin Chemistry

Modeling coupled spin-nuclear-electronic molecular dynamics from first principle.

Coming soon!

References

2021

  1. JCP
    Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics
    Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh, Zeyu Zhou, Hsing-Ta Chen, and Joseph E Subotnik
    The Journal of Chemical Physics, Dec 2021
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