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Orbital Surface Hopping from the Orbital Quantum-Classical Liouville Equation for Nonadiabatic Dynamics of

Yong-Tao Ma1, Rui-Hao Bi1, Wenjie Dou1,2,3

  • 1Department of Chemistry, School of Science and Research Center for Industries of the Future, Westlake University, Hangzhou, Zhejiang 310024, China.

Journal of Chemical Theory and Computation
|March 21, 2025
PubMed

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