28 citations · 104 across the 24 of their papers we have counts for
5 papers · 1 filter
Non-adiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-space Surface Hopping
Zeyu Zhou, Yanze Wu, Xuezhi Bian +1
Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light.…
Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method
Xuezhi Bian, Yanze Wu, Jonathan Rawlinson +2
Nuclear Berry curvature effects emerge from electronic spin degeneracy and canlead to non-trivial spin-dependent (nonadiabatic) nuclear dynamics. However, such effects are complete…
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…
A Phase-Space Semiclassical Approach for Modeling Nonadiabatic Nuclear Dynamics with Electronic Spin
Yanze Wu, Xuezhi Bian, Jonathan Rawlinson +2
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. H…
Incorporating Berry Force Effects into The Fewest Switches Surface Hopping Algorithm: Intersystem Crossing and The Case of Electronic Degeneracy
Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh +1
We present a preliminary surface-hopping approach for modeling intersystem crossing (ISC) dynamics between four electronic states: one singlet and one (triply degenerate) triplet.…