3 papers
physics.chem-ph2025
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…
quant-ph2024
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…
quant-ph2024
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…