Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics
arXiv:2107.03142 · doi:10.1021/acs.jpca.1c04429
Abstract
We show that a novel, general phase space mapping Hamiltonian for nonadiabatic systems, which is reminiscent of the renowned Meyer-Miller mapping Hamiltonian, involves a commutator variable matrix rather than the conventional zero-point-energy parameter. In the exact mapping formulation on constraint space for phase space approaches for nonadiabatic dynamics, the general mapping Hamiltonian with commutator variables can be employed to generate approximate trajectory-based dynamics. Various benchmark model tests, which range from gas phase to condensed phase systems, suggest that the overall performance of the general mapping Hamiltonian is better than that of the conventional Meyer-Miller Hamiltonian.
References in corpus (10)
- Reduced hierarchical equations of motion in real and imaginary time: Correlated initial states and thermodynamic quantities
- Real-Time and Imaginary-Time Quantum Hierarchal Fokker-Planck Equations
- Generalized spin mapping for quantum-classical dynamics
- Exact quantum statistics for electronically nonadiabatic systems using continuous path variables
- Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
- Analysis of the quantum-classical Liouville equation in the mapping basis
- Benchmarking Semiclassical and Perturbative Methods for Real-time Simulations of Cavity-Bound Emission and Interference
- Negative Zero-Point-Energy Parameter in the Meyer-Miller Mapping Model for Nonadiabatic Dynamics
- A Comparison of Different Classical, Semiclassical and Quantum Treatments of Light-Matter Interactions: Understanding Energy Conservation
- Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited