39 citations · 213 across the 19 of their papers we have counts for
7 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.…
A Quantum-Classical Liouville Formalism in a Preconditioned Basis and Its Connection with Phase-Space Surface Hopping
Yanze Wu, Joseph Subotnik
We revisit a recent proposal to model nonadiabatic problems with a complex-valued Hamiltonian through a phase-space surface hopping (PSSH) algorithm employing a pseudo-diabatic bas…
The Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics
Suraj S. Chandran, Yanze Wu, Joseph E. Subotnik
We investigate spin-dependent electron transfer in the presence of a Duschinskii rotation. In particular, we propagate dynamics for a two-level model system for which spin-orbit co…
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…
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…
Electron Transfer and Spin-Orbit Coupling: How Strong are Berry Force Effects In and Out of Equilibrium in the Presence of Nuclear Friction?
Suraj Chandran, Yanze Wu, Hung-Hsuan Teh +2
We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, exp(iWx). We consider both equilibrium and none…
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.…