6 citations · 15 across the 25 of their papers we have counts for
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Orbital Surface Hopping from Orbital Quantum-Classical Liouville Equation for Nonadiabatic Dynamics of Many-electron Systems
Yong-Tao Ma, Rui-Hao Bi, Wenjie Dou
Accurate simulation the many-electronic nonadiabatic dynamics process at metal surfaces remains as a significant task. In this work, we present an orbital surface hopping (OSH) alg…
How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E) dynamics
Jingqi Chen, Joonho Lee, Wenjie Dou
One key challenge in the study of nonadiabatic dynamics in open quantum systems is to balance computational efficiency and accuracy. Although Ehrenfest dynamics (ED) is computation…
Memory Kernel Coupling Theory: Obtain Time Correlation Function from Higher-order Moments
Wei Liu, Yu Su, Yao Wang +1
Dynamical observables can often be described by time correlation functions (TCFs). However, efficiently calculating TCFs for complex quantum systems is a significant challenge, whi…
Interband and intraband transitions, as well as charge mobility in driven two-band model with electron phonon coupling
Yu Wang, Wenjie Dou
Interband and intraband transitions are fundamental concepts in the study of electronic properties of materials, particularly semiconductors and nanomaterials. These transitions in…
Spin-lattice relaxation with non-linear couplings: Comparison between Fermi's golden rule and extended dissipaton equation of motion
Rui-Hao Bi, Yu Su, Yao Wang +2
Fermi's golden rule (FGR) offers an empirical framework for understanding the dynamics of spin-lattice relaxation in magnetic molecules, encompassing mechanisms like direct (one-ph…
Floquet Nonadiabatic Mixed Quantum-Classical Dynamics in Laser-Dressed Solid Systems
Jingqi Chen, Yu Wang, Wenjie Dou
In this paper, we introduce the Floquet Ehrenfest and Floquet surface hopping approaches to study the nonadiabatic dynamics in the laser-dressed solid systems. We demonstrate that…
Enhancement of Chiral-Induced Spin Selectivity via Circularly Polarized Light
Wei Liu, Jingqi Chen, Wenjie Dou
The notion of chiral-induced spin selectivity (CISS) has attracted intensive research interest recently. However, the practical applications of the CISS effects face challenges due…