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cond-mat.str-el2025★ 1 cited
Scalable tensor network algorithm for quantum impurity problems
Zhijie Sun, Ruofan Chen, Zhenyu Li +1
The Grassmann time-evolving matrix product operator method has shown great potential as a general-purpose quantum impurity solver, as its numerical errors can be well-controlled an…
physics.chem-ph2025
First Principles Reactive Flux Theory for Surface Reactions: Multiple Channels and Recrossing Dynamics
Chen Li, Xiongzhi Zeng, Yongle Li +3
Heterogenous reactions typically consist of multiple elementary steps and their rate coefficients are of fundamental importance in elucidating the mechanisms and micro-kinetics of…