19 citations · 85 across the 12 of their papers we have counts for
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physics.chem-ph2023
Surface Hopping, Electron Translation Factors, Electron Rotation Factors, Momentum Conservation, and Size Consistency
Vishikh Athavale, Xuezhi Bian, Zhen Tao +5
For a system without spin-orbit coupling, the (i) nuclear plus electronic linear momentum and (ii) nuclear plus orbital electronic angular momentum are good quantum numbers. Thus,…
physics.chem-ph2022
Symmetric Post-Transition-State Bifurcation Reactions with Berry Pseudo-Magnetic Fields
Zhen Tao, Tian Qiu, Joseph E. Subotnik
We investigate how the Berry force (i.e. the pseudo-magnetic force operating on nuclei as induced by electronic degeneracy and spin-orbit coupling (SOC)) might modify a post-transi…
physics.chem-ph2022★ 10 cited
On the Meaning of Berry Force For Unrestricted Systems Treated With Mean-Field Electronic Structure
Xuezhi Bian, Tian Qiu, Junhan Chen +1
We show that the Berry force as computed by an approximate, mean-field electronic structure can be meaningful if properly interpreted. In particular, for a model Hamiltonian repres…