68 citations · 268 across the 7 of their papers we have counts for
7 papers
Nonadiabatic Field: A Conceptually Novel Approach for Nonadiabatic Quantum Molecular Dynamics
Baihua Wu, Bingqi Li, Xin He +3
Reliable trajectory-based nonadiabatic quantum dynamics methods at the atomic level are critical for understanding many important processes in real systems. The paper reports lates…
Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space
Xin He, Xiangsong Cheng, Baihua Wu +1
The constraint coordinate-momentum phase space (CPS) formulation of finite-state quantum systems has recently revealed that the triangle window function approach is an isomorphic r…
Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest
Baihua Wu, Xin He, Jian Liu
Nonadiabatic transition dynamics lies at the core of many electron/hole transfer, photoactivated, and vacuum field-coupled processes. About a century after Ehrenfest proposed "Phas…
Negative Zero-Point-Energy Parameter in the Meyer-Miller Mapping Model for Nonadiabatic Dynamics
Xin He, Zhihao Gong, Baihua Wu +1
The celebrated Meyer-Miller mapping model has been a useful approach for generating practical trajectory-based nonadiabatic dynamics methods. It is generally assumed that the zero-…
Unified Formulation of Phase Space Mapping Approaches for Nonadiabatic Quantum Dynamics
Jian Liu, Xin He, Baihua Wu
Nonadiabatic dynamical processes are one of the most important quantum mechanical phenomena in chemical, materials, biological, and environmental molecular systems, where the coupl…
New Phase Space Formulations and Quantum Dynamics Approaches
Xin He, Baihua Wu, Youhao Shang +3
We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-mo…
Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics
Xin He, Baihua Wu, Zhihao Gong +1
We show that a novel, general phase space mapping Hamiltonian for nonadiabatic systems, which is reminiscent of the renowned Meyer-Miller mapping Hamiltonian, involves a commutator…