2 papers
physics.chem-ph2025
Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?
Alan Scheidegger, JiÅÃ J. L. VanÃÄek
The thawed Gaussian Ehrenfest dynamics is a single-trajectory method that partially includes both nuclear quantum and electronically nonadiabatic effects by combining the thawed Ga…
physics.chem-ph2025
Ehrenfest dynamics accelerated with SPEED
Alan Scheidegger, JiÅÃ J. L. VanÃÄek
Mixed quantum-classical methods, such as surface hopping and Ehrenfest dynamics, have proven useful for describing molecular processes involving multiple electronic states. These m…