4 papers
On the Electronic Path-Integral Normal Modes of the Spin-Mapping Representation of Nonadiabatic Dynamics
Lauren E. Cook, James R. Rampton, Timothy J. H. Hele
Nonadiabatic Matsubara dynamics has been proposed in both the Meyer-Miller-Stock-Thoss (MMST) and spin-mapping representations, whereby the dynamics are truncated in the higher pat…
On the Symplectic Propagation of the Spin-MInt Algorithm for Non-Adiabatic Quantum Dynamics
James R. Rampton, Lauren E. Cook, Timothy J. H. Hele
Mapping methods are often used for the numerical simulation of nonadiabatic systems by propagating classical mapping variable trajectories. A recently popularised mapping method is…
The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
Lauren E. Cook, James R. Rampton, Timothy J. H. Hele
Mapping methods, including the Meyer-Miller-Stock-Thoss (MMST) mapping and spin-mapping, are commonly utilised to simulate nonadiabatic dynamics by propagating classical mapping va…
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamics
Lauren E. Cook, Timothy J. H. Hele
Accurate and efficient simulation of nonadiabatic dynamics is highly desirable for understanding charge and energy transfer in complex systems. A key criterion for obtaining an acc…