Work

Focused Sampling for Low-Cost and Accurate Ehrenfest Modeling of Cavity Quantum Electrodynamics

Year: 2025

Type: article

Abstract: An economic modeling approach for cavity quantum electrodynamics is provided by mean-field dynamics, wherein the optical field is described classically while a self-consistent interaction with quantum emitters is incorporated through the Ehrenfest theorem. However, conventional implementations of mean-field dynamics are known to suffer from a catastrophic leakage of zero-point energy, to lose accuracy in the short-cavity limit, and to require large numbers of trajectories to be sampled. Here, we address these three shortcomings within a single integrated approach. This approach builds on our recently proposed modification of the Ehrenfest theorem, referred to as decoupled mean-field (DC-MF) dynamics, in combination with a focused sampling scheme that enforces zero-point energy at the single-trajectory level. The approach is shown to yield high accuracy in both short and long-cavity limits while reaching convergence within a minimal amount of trajectories.

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c01639

Authors: Ming-Hsiu Hsieh, Alex Krotz, Roel Tempelaar

Institution: Northwestern University

Language: English

Topic: Strong Light-Matter Interactions

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: International Institute for Nanotechnology, Northwestern University, Division of Chemistry

Award: G3209023385