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most citedAnalog Quantum Simulation of Coupled Electron-Nuclear Dynamics in Molecules

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physics.chem-ph2025

Unifying Decoherence and Phase Evolution in Mixed Quantum-Classical Dynamics through Exact Factorization

Jong-Kwon Ha, Seong Ho Kim, Seung Kyu Min

We propose mixed quantum-classical equations of motion that unify electronic coherence and phase evolution simultaneously within the exact factorization framework. Our derivation s…

physics.chem-ph2021

A study of the decoherence correction derived from the exact factorization approach for non-adiabatic dynamics

Patricia Vindel-Zandbergen, Lea M. Ibele, Jong-Kwon Ha +3

We present a detailed study of the decoherence correction to surface-hopping that was recently derived from the exact factorization approach. Ab initio multiple spawning calculatio…