Ehrenfest+R Dynamics I: A Mixed Quantum-Classical Electrodynamics Simulation of Spontaneous Emission

Abstract

The dynamics of an electronic system interacting with an electromagnetic field is investigated within mixed quantum-classical theory. Beyond the classical path approximation (where we ignore all feedback from the electronic system on the photon field), we consider all electron-photon interactions explicitly according to Ehrenfest (i.e. mean-field) dynamics and a set of coupled Maxwell-Liouville equations. Because Ehrenfest dynamics cannot capture certain quantum features of the photon field correctly, we propose a new Ehrenfest+R method that can recover (by construction) spontaneous emission while also distinguishing between electromagnetic fluctuations and coherent emission.

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Cited by in corpus (21)

• Quantum-Electrodynamical Time-Dependent Density Functional Theory. I. A Gaussian Atomic Basis Implementation
• Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
• Benchmarking Semiclassical and Perturbative Methods for Real-time Simulations of Cavity-Bound Emission and Interference
• Unraveling a cavity induced molecular polarization mechanism from collective vibrational strong coupling
• Cumulant expansion for the treatment of light-matter interactions in arbitrary material structures
• Quasiclassical Modeling of Cavity Quantum Electrodynamics
• Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics
• INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations
• Cavity engineering of solid-state materials without external driving
• A Comparison of Different Classical, Semiclassical and Quantum Treatments of Light-Matter Interactions: Understanding Energy Conservation
• Ehrenfest+R Dynamics II: A Semiclassical QED Framework for Raman Scattering
• Nonadiabatic Field: A Conceptually Novel Approach for Nonadiabatic Quantum Molecular Dynamics
• Dissociation slowdown by collective optical response under strong coupling conditions
• Nonlinear semiclassical spectroscopy of ultrafast molecular polariton dynamics
• Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited
• A Mean-Field Treatment of Vacuum Fluctuations in Strong Light-Matter Coupling
• Understanding polaritonic chemistry from ab initio quantum electrodynamics
• Understanding Detailed Balance for an Electron-Radiation System Through Mixed Quantum-Classical Electrodynamics
• Understanding the Nature of Mean-Field Semiclassical Light-Matter Dynamics: An Investigation of Energy Transfer, Electron-Electron Correlations, External Driving and Long-Time Detailed Balance
• MQED-QD: An Open-Source Package for Quantum Dynamics Simulation in Complex Dielectric Environments
• Polariton-induced Purcell effects via a reduced semiclassical electrodynamics approach