274 citations
- Beijing National Laboratory for Molecular SciencesCN3 papers
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physics.chem-ph2026★ 1 cited
Geometric Phase Effect in Thermodynamic Properties and in the Imaginary-Time Multi-Electronic-State Path Integral Formulation
Yu Zhai, Youhao Shang, Jian Liu
The geometric phase (GP) is a fundamental quantum effect arising from conical intersections (CIs), with profound consequences for vibronic energy levels. Standard imaginary-time pa…
physics.chem-ph2025★ 17 cited
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…
physics.chem-ph2025★ 3 cited
Twin-Space Representation of Classical Mapping Model in the Constraint Phase Space Representation: Numerically Exact Approach to Open Quantum Systems
Jiaji Zhang, Jian Liu, Lipeng Chen
The constraint coordinate-momentum \textit{phase space} (CPS) has recently been developed to study nonadiabatic dynamics in gas-phase and condensed-phase molecular systems. Althoug…