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quant-ph2024
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…
physics.chem-ph2024
Condensed-Phase Quantum Chemistry
Paul J. Robinson, Adam Rettig, Hieu Q. Dinh +2
Molecular quantum chemistry has seen enormous progress in the last few decades thanks to the more advanced and sophisticated numerical techniques and computing power. Following the…