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physics.chem-ph2026
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-ph2025
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…