2 papers
physics.chem-ph2019
Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach
Maximilian A. C. Saller, Aaron Kelly, Jeremy O. Richardson
The mapping approach addresses the mismatch between the continuous nuclear phase space and discrete electronic states by creating an extended, fully continuous phase space using a…
physics.chem-ph2018
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
Maximilian A. C. Saller, Aaron Kelly, Jeremy O. Richardson
Simulating the nonadiabatic dynamics of condensed-phase systems continues to pose a significant challenge for quantum dynamics methods. Approaches based on sampling classical traje…