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WebExact-Factorization-Based Surface-Hopping for Multi-State Dynamics Patricia Vindel-Zandbergen, 1Spiridoula Matsika,2 and Neepa T. Maitra 1Department of Physics, Rutgers University, Newark, New Jersey 07102, USA 2Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States A surface-hopping algorithm recently … WebFeb 16, 2024 · A surface-hopping algorithm recently derived from the exact factorization approach, SHXF [Ha et al. J. Phys. Chem. Lett. 2024, 9, 1097], introduces an additional term in the electronic equation of surface hopping that couples electronic states through the quantum momentum. This term not only provides a first-principles description of … dvc-an20是什么型号
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