ArticleProceedings of the National Academy of Sciences of the United States of America2021
Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light-matter coupling.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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21 citing papers in PubMed.
- Quantized Plasmon Modes for Metallic Nanoparticles of Arbitrary Shape with a Generic Dielectric Function.The journal of physical chemistry letters · 2026Article
- Polaritonic Coupled Cluster Theory for Unpolarized Cavities Exploiting Point-Group Symmetry.Journal of chemical theory and computation · 2026Article
- Multiple photon field-induced topological states in bulk HgTe.Science advances · 2026Article
- Bridging quantum noise and classical electrodynamics with stochastic methods.Nature communications · 2026Article
- Collectively-Modified Intermolecular Electron Correlations: The Connection of Polaritonic Chemistry and Spin Glass Physics.Chemical reviews · 2026Review
- Linking critical temperature with electron localization for cavity-enhanced superconductivity.Communications physics · 2026Article
- Density-functional tight binding meets Maxwell: unraveling the mysteries of (strong) light-matter coupling efficiently.Nanophotonics (Berlin, Germany) · 2025Article
- Perspective on Many-Body Methods for Molecular Polaritonic Systems.Journal of chemical theory and computation · 2025Review
- Cavity-mediated electron-electron interactions: Renormalizing Dirac states in graphene.Science advances · 2025Article
- Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model.The journal of physical chemistry. A · 2025Article
- Cavity-enhanced superconductivity in MgBProceedings of the National Academy of Sciences of the United States of America · 2024Article
- Machine Learning for Polaritonic Chemistry: Accessing Chemical Kinetics.Journal of the American Chemical Society · 2024Article
- Article
- Numerically Exact Solution for a Real Polaritonic System under Vibrational Strong Coupling in Thermodynamic Equilibrium: Loss of Light-Matter Entanglement and Enhanced Fluctuations.Journal of chemical theory and computation · 2023Article
- Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics.Chemical reviews · 2023Review
- Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics.Chemical reviews · 2023Review
- Chiral Polaritonics: Analytical Solutions, Intuition, and Use.The journal of physical chemistry letters · 2023Article
- Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity.Nature communications · 2022Article
- Polaritonic Chemistry from First Principles via Embedding Radiation Reaction.The journal of physical chemistry letters · 2022Article
- Quantum Phase Transition in the Spin Transport Properties of Ferromagnetic Metal-Insulator-Metal Hybrid Materials.Nanomaterials (Basel, Switzerland) · 2022Article
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5 authors.
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Abstract
Strong light-matter coupling provides a promising path for the control of quantum matter where the latter is routinely described from first principles. However, combining the quantized nature of light with this ab initio tool set is challenging and merely developing as the coupled light-matter Hilbert space is conceptually different and computational cost quickly becomes overwhelming. In this work, we provide a nonperturbative photon-free formulation of quantum electrodynamics (QED) in the long-wavelength limit, which is formulated solely on the matter Hilbert space and can serve as an accurate starting point for such ab initio methods. The present formulation is an extension of quantum mechanics that recovers the exact results of QED for the zero- and infinite-coupling limit and the infinite-frequency as well as the homogeneous limit, and we can constructively increase its accuracy. We show how this formulation can be used to devise approximations for quantum-electrodynamical density-functional theory (QEDFT), which in turn also allows us to extend the ansatz to the full minimal-coupling problem and to nonadiabatic situations. Finally, we provide a simple local density-type functional that takes the strong coupling to the transverse photon degrees of freedom into account and includes the correct frequency and polarization dependence. This QEDFT functional accounts for the quantized nature of light while remaining computationally simple enough to allow its application to a large range of systems. All approximations allow the seamless application to periodic systems.
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