most citedPrediction Challenge: Simulating Rydberg Photoexcited Cyclobutanone with Surface Hopping Dynamics based on Different Electronic Structure Methods

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physics.chem-ph2025

Ehrenfest Dynamics with Spontaneous Localization

Anderson A. Tomaz, Rafael S. Mattos, Saikat Mukherjee +1

We propose Ehrenfest Dynamics with Spontaneous Localization (SLED), a decoherence-corrected extension of Ehrenfest dynamics based on the Gisin-Percival quantum-state diffusion (QSD…

physics.chem-ph2024★ 1 cited

Prediction Challenge: Simulating Rydberg Photoexcited Cyclobutanone with Surface Hopping Dynamics based on Different Electronic Structure Methods

Saikat Mukherjee, Rafael S. Mattos, Josene M. Toldo +2

This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the n-3s Rydberg S2 state. It stems from our contribution to the Special Topic of the Journa…