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Physical Review A

Gauge invariance of the natural lineshape and dissipative dynamics of a two-level system

Chris Gustin

Published Nov 12, 2025• 1 citation
Publisher

Abstract

The calculation of the natural lineshape of an excited two-level system (TLS) has long been known to be gauge dependent, with experiments and classical predictions in better agreement with the lineshape calculated with the dipole gauge ($\ensuremath{-}\mathbf{r}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{E}$ coupling). We show that by using a Coulomb-gauge ($\mathbf{p}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{A}$ coupling) Hamiltonian truncated in a manner consistent with the gauge principle, the correct output spectrum can, in fact, be obtained. For TLSs undergoing dynamics arising from additional Hamiltonian couplings, we also show that the master equation is gauge invariant under the same conditions of validity as the Markov approximation, despite different gauges having different spectral densities. These results highlight the importance of using correctly truncated gauge-invariant Hamiltonians in input-output theory for accurate frequency-dependent spectra, even in weak-coupling regimes.

DOI
10.1103/nqys-jz1w

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The calculation of the natural lineshape of an excited two-level system (TLS) has long been known to be gauge dependent, with experiments and classical predictions in better agreement with the lineshape calculated with the dipole gauge (\ensuremath−r\ifmmode⋅\else\textperiodcentered\fiE\ensuremath{-}\mathbf{r}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{E}\ensuremath−r\ifmmode⋅\else\textperiodcentered\fiE coupling). We show that by using a Coulomb-gauge (p\ifmmode⋅\else\textperiodcentered\fiA\mathbf{p}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{A}p\ifmmode⋅\else\textperiodcentered\fiA coupling) Hamiltonian truncated in a manner consistent with the gauge principle, the correct output spectrum can, in fact, be obtained. For TLSs undergoing dynamics arising from additional Hamiltonian couplings, we also show that the master equation is gauge invariant under the same conditions of validity as the Markov approximation, despite different gauges having different spectral densities. These results highlight the importance of using correctly truncated gauge-invariant Hamiltonians in input-output theory for accurate frequency-dependent spectra, even in weak-coupling regimes.
A quantum dipole interacting with an optical cavity is one of the key models in cavity quantum electrodynamics (cavity-QED). To treat this system theoretically, the typical approach is to truncate the dipole to two levels. However, it has been shown that in the ultrastrong-coupling regime, this truncation naively destroys gauge invariance. By truncating in a manner consistent with the gauge principle, we introduce master equations to compute gauge-invariant emission spectra and quantum correlation functions which show significant disagreement with previous results obtained using the standard quantum Rabi model, with quantitative differences already present in the strong coupling regime. Explicit examples are shown using both the dipole gauge and the Coulomb gauge.
A quantum dipole interacting with an optical cavity is one of the key models in cavity quantum electrodynamics (cavity-QED). To treat this system theoretically, the typical approach is to truncate the dipole to two levels. However, it has been shown that in the ultrastrong-coupling regime, this truncation naively destroys gauge invariance. By truncating in a manner consistent with the gauge principle, we introduce master equations for open systems to compute gauge-invariant emission spectra, photon flux rates, and quantum correlation functions which show significant disagreement with previous results obtained using the standard quantum Rabi model. Explicit examples are shown using both the dipole gauge and the Coulomb gauge.
We revisit the derivation of Rabi- and Dicke-type models, which are commonly used for the study of quantum light-matter interactions in cavity and circuit QED. We demonstrate that the validity of the two-level approximation, which is an essential step in this derivation, depends explicitly on the choice of gauge once the system enters the ultrastrong-coupling regime. In particular, while in the electric dipole gauge the two-level approximation can be performed as long as the Rabi frequency remains much smaller than the energies of all higher-lying levels, it can dramatically fail in the Coulomb gauge, even for systems with an extremely anharmonic spectrum. We extensively investigate this phenomenon both in the single-dipole (Rabi) and multidipole (Dicke) case, and consider the specific examples of dipoles confined by double-well and square-well potentials, and of circuit QED systems with flux qubits coupled to an LC resonator.
We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S -matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S -matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.
The loss of gauge invariance in models of light-matter interaction which arises from material and photonic space truncation can pose significant challenges to conventional quantum optical models when matter and light strongly hybridize. In structured photonic environments, necessary in practice to achieve strong light-matter coupling, a rigorous model of field quantization within the medium is also needed. Here we use the framework of macroscopic QED by quantizing the fields in an arbitrary material system, with a spatially dependent dispersive and absorptive dielectric, starting from a fundamental light-matter action. We truncate the material and mode degrees of freedom while respecting the gauge principle by imposing a partial gauge-fixing constraint during canonical quantization, which admits a large number of gauges including the Coulomb and multipolar gauges commonly used in quantum optics. We also consider gauge conditions with explicit time dependence, enabling us to unambiguously introduce additional phenomenologically time-dependent light-matter interactions in any gauge. Our results allow one to derive rigorous nonrelativistic models of ultrastrong light-matter interactions in structured photonic environments with no gauge ambiguity. Results for two-level systems and the dipole approximation are discussed, as well as how to go beyond the dipole approximation for effective single-particle models. By comparing with the limiting case of an inhomogeneous dielectric, where dispersion and absorption can be neglected and the fields can be expanded in terms of the generalized transverse eigenfunctions of the dielectric, we show how lossy systems can introduce an additional gauge ambiguity, which we resolve and predict to have fundamental implications for open quantum system models. Finally, we show how observables in mode-truncated systems can be calculated without ambiguity by using a simple gauge-invariant model of photodetection.
In recent studies on ultrastrong coupling between matter and light in cavities, the significance of gauge choice when employing the widely used two-level approximation has been highlighted. Expanding upon these investigations, we extend the analysis to waveguide QED, where we demonstrate that truncations performed in the dipole gauge also yield accurate results. To illustrate this point, we consider the case of a dipole coupled to a cavity array. Various numerical and analytical techniques have been employed to investigate the low-energy dynamics of the system. Leveraging these theoretical tools, we argue that single-photon scattering is an ideal method for investigating gauge-related issues. Our findings reveal two effects in the scattering spectra, which cannot be reproduced in a truncated model using the Coulomb gauge. First, the primary resonance is modified due to a Lamb shift contribution. Second, we observe asymmetric transmission amplitudes surrounding this resonance, reflecting the asymmetry of the spectral density in this model. Additionally, we explore other features in the scattering spectra resulting from ultrastrong couplings, such as the emergence of Fano resonances and inelastic channels. Finally, we propose an experimental test of our ideas in the context of circuit QED.