Surface Hopping with Reliable Wave Function by Introducing Auxiliary Wave Packets to Trajectory Branching
Author:
Affiliation:
1. Key Laboratory of Excited-State Materials of Zhejiang Province, Department of Chemistry, Zhejiang University, Hangzhou 310058, China
Funder
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00437
Reference59 articles.
1. Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry?
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Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Multiconfigurational Surface Hopping: a Time-Dependent Variational Approach with Momentum-Jump Trajectories;Journal of Chemical Theory and Computation;2024-08-31
2. Detailed Complementary Consistency: Wave Function Tells Particle How to Hop, Particle Tells Wave Function How to Collapse;The Journal of Physical Chemistry Letters;2024-06-24
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