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arXiv:1901.01889 · Physical Review A

Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics

Norah M. Hoffmann, Christian Schäfer, Ángel Rubio, Aaron Kelly, Heiko Appel

Published Jun 17, 2019• 70 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/physreva.99.063819

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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.
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.
We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter interactions in quantum cavities. The model system of interest features spontaneous emission, interference, and strong coupling behavior and necessitates the consideration of vacuum fluctuations and correlated light-matter dynamics. We compare a selection of approximate dynamics approaches including fewest switches surface hopping (FSSH), multitrajectory Ehrenfest dynamics, linearized semiclassical dynamics, and partially linearized semiclassical dynamics. Furthermore, investigating self-consistent perturbative methods, we apply the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the second Born approximation. With the exception of fewest switches surface hopping, all methods provide a reasonable level of accuracy for the correlated light-matter dynamics, with most methods lacking the capacity to fully capture interference effects.
We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter interactions in quantum cavities. The model system of interest features spontaneous emission, interference, and strong coupling behavior and necessitates the consideration of vacuum fluctuations and correlated light-matter dynamics. We compare a selection of approximate dynamics approaches including fewest switches surface hopping (FSSH), multitrajectory Ehrenfest dynamics, linearized semiclassical dynamics, and partially linearized semiclassical dynamics. Furthermore, investigating self-consistent perturbative methods, we apply the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the second Born approximation. With the exception of fewest switches surface hopping, all methods provide a reasonable level of accuracy for the correlated light-matter dynamics, with most methods lacking the capacity to fully capture interference effects.
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.
In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter-photon problems. We analyze model systems in optical cavities, where the matter-photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born-Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron-photon dynamics. This work paves the way to describe matter-photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science.
We model a collection of NNN two-level systems (TLSs) coupled to a multimode cavity via Meyer-Miller-Stock-Thoss (MMST) dynamics, sampling both electronic and photonic zero-point energies (ZPEs) and propagating independent trajectories in Wigner phase space. By investigating the ground-state stability of a single TLS, we use MMST dynamics to separately study both electronic ZPE effects (which would naively lead to the breakdown of the electronic ground state) and photonic ZPE effects (which would naively lead to spontaneous absorption). By contrast, including both effects, i.e., sampling both electronic and photonic ZPEs, leads to the dynamical stability of the electronic ground state. Therefore, MMST dynamics provides a practical way to identify the contributions of self-interaction and vacuum fluctuations. More importantly, we find that MMST dynamics can predict accurate quantum dynamics for both electronic populations and electromagnetic field intensity in the high saturation limit. For a single TLS in a cavity, MMST dynamics correctly predicts the initial exponential decay of spontaneous emission, Poincar\'e recurrences, and the positional dependence of a spontaneous emission rate. For an array of NNN equally spaced TLSs with only one TLS excited initially, MMST dynamics correctly predicts the modification of spontaneous emission rate as a function of the spacing between TLSs. Finally, MMST dynamics also correctly models Dicke's superradiance and subradiance, i.e., the dynamics when all TLSs are excited initially, including the correct quantum statistics for the delay time (as found by counting trajectories, for which a full quantum simulation is hard to achieve). Therefore, this work raises the possibility of simulating large-scale collective light-matter interactions with methods beyond mean-field theory.