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arXiv:2309.01912 · The Journal of Chemical Physics

Ehrenfest modeling of cavity vacuum fluctuations and how to achieve emission from a three-level atom

Ming‐Hsiu Hsieh, Alex Krotz, Roel Tempelaar

Published Dec 12, 2023• 4 citations
arXivHTMLPDF

Abstract

A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum-classical dynamics, where a classical cavity field interacts self-consistently with quantum states of matter through Ehrenfest's theorem. We previously introduced a modified mean-field approach, referred to as decoupled mean-field (DC-MF) dynamics, wherein vacuum fluctuations of the cavity field are decoupled from the quantum-mechanical ground state as a means to resolve an unphysical drawing of energy from the vacuum fluctuations by a two-level atom. Here, we generalize DC-MF dynamics for an arbitrary number of (nondegenerate) atomic levels and show that it resolves an unphysical lack of emission from a three-level atom predicted by conventional mean-field dynamics. We furthermore show DC-MF to provide an improved description of reabsorption and (resonant) two-photon emission processes.

DOI
10.1063/5.0175145

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A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum-classical dynamics, where a classical cavity field interacts self-consistently with quantum states of matter through Ehrenfest's theorem. We previously introduced a modified mean-field approach, referred to as decoupled mean-field (DC-MF) dynamics, wherein vacuum fluctuations of the cavity field are decoupled from the quantum-mechanical ground state as a means to resolve an unphysical drawing of energy from the vacuum fluctuations by a two-level atom. Here, we generalize DC-MF dynamics for an arbitrary number of (nondegenerate) atomic levels and show that it resolves an unphysical lack of emission from a three-level atom predicted by conventional mean-field dynamics. We furthermore show DC-MF to provide an improved description of reabsorption and (resonant) two-photon emission processes.
Mean-field mixed quantum-classical dynamics could provide a much-needed means to inexpensively model quantum electrodynamical phenomena by describing the optical field and its vacuum fluctuations classically. However, this approach is known to suffer from an unphysical transfer of energy out of the vacuum fluctuations when the light-matter coupling becomes strong. We highlight this issue for the case of an atom in an optical cavity and resolve it by introducing an additional set of classical coordinates to specifically represent vacuum fluctuations whose light-matter interaction is scaled by the instantaneous ground-state population of the atom. This not only rigorously prevents the aforementioned unphysical energy transfer but is also shown to yield a radically improved accuracy in terms of the atomic population and the optical field dynamics, generating results in excellent agreement with full quantum calculations. As such, the resulting method emerges as an attractive solution for the affordable modeling of strong light-matter coupling phenomena involving macroscopic numbers of optical modes.
We describe vacuum fluctuations and photon-field correlations in interacting quantum mechanical light-matter systems by generalizing the application of mixed quantum classical dynamics techniques. We employ the multitrajectory implementation of Ehrenfest mean-field theory, traditionally developed for electron-nuclear problems, to simulate the spontaneous emission of radiation in a model quantum electrodynamical cavity-bound atomic system. We investigate the performance of this approach in capturing the dynamics of spontaneous emission from the perspective of both the atomic system and the cavity photon field through a detailed comparison with exact benchmark quantum mechanical observables and correlation functions. By properly accounting for the quantum statistics of the vacuum field, while using mixed quantum classical (mean-field) trajectories to describe the evolution, we identify a surprisingly accurate and promising route towards describing quantum effects in realistic correlated light-matter systems.
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.
We explore the quantum dynamics of photoassociation of Bose-Einstein condensed atoms into molecules using an optical cavity field. Inside of an optical resonator, photoassociation of quantum degenerate atoms involves the interaction of three coupled quantum fields for the atoms, molecules, and the photons. The feedback created by a high-QQQ optical cavity causes the cavity field to become a dynamical quantity whose behavior is linked in a nonlinear manner to the atoms inside and where vacuum fluctuations have a more important role than in free space. We develop and compare several methods for calculating the dynamics of the atom-molecule conversion process with a coherently driven cavity field. We first present an alternate operator representation for the Hamiltonian from which we derive an improved form of mean field theory and an approximate solution of the Heisenberg-Langevin (HL) equations that properly accounts for quantum noise in the cavity field. It is shown that our improved mean field theory corrects several deficiencies in traditional mean field theory based on expectation values of annihilation and creation operators. Also, we show by direct comparison to numerical solutions of the density matrix equations that our approximate quantum solution of HL equations gives an accurate description of weakly or undriven cavities where mean field theories break down.
The prototypical system constituted by a two-level atom interacting with a quantized single-mode electromagnetic field is described by the quantum Rabi model (QRM). The QRM is potentially valid at any light-matter interaction regime, ranging from the weak (where the decay rates exceeds the coupling rate) to the deep strong coupling (where the interaction rate exceeds the bare transition frequencies of the subsystems). However, when reaching the ultrastrong coupling regime, several theoretical issues may prevent the correct description of the observable dynamics of such a system: (i) the standard quantum optics master equation fails to correctly describe the interaction of this system with the reservoirs; (ii) the correct output photon rate is no longer proportional to the intracavity photon number; and (iii) they appear to violate gauge invariance. Here, we study the photon flux emission rate of this system under the incoherent excitation of the two-level atom for any light-matter interaction strength and consider different effective temperatures. The dependence of the emission spectra on the coupling strength is the result of the interplay between energy levels, matrix elements of the observables, and the density of states of the reservoirs. Within this approach, we also study the occurrence of light-matter decoupling in the deep strong-coupling regime and show how all of the obtained results are gauge invariant.
We investigate a cavity mode that interacts with a three-level atom in an open cavity that is coupled to a vacuum reservoir and is driven by coherent light. In our analysis, the interaction of the three-level atom with the external vacuum reservoir is taken into account and the noise operators of the vacuum reservoir are placed in normal order. While the spontaneous emission rate fluctuates as [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text], the cavity damping constant and stimulated emission decay constant, both set to 0.8, govern the system dynamics. Both the plus and negative components of the cavity light display quadrature squeezing. For coherent driving strengths [Formula: see text] and [Formula: see text] at [Formula: see text], and [Formula: see text] at [Formula: see text], the plus quadrature exhibits [Formula: see text] squeezing below the vacuum level, indicating that increasing the coherent drive can compensate for the decoherence introduced by spontaneous emission. Moreover, for [Formula: see text], the minus quadrature achieves [Formula: see text] squeezing. At high driving strengths, the squeezing in both quadratures becomes independent of spontaneous emission. In the absence of spontaneous emission, the mean photon number increases, and the photon number distribution shows a higher probability for even photon numbers than for odd ones, with the overall distribution decreasing as the photon number increases.