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The key features of density-functional theory (DFT) within a minimalistic implementation of quantum electrodynamics are demonstrated, thus allowing to study elementary properties of quantum-electrodynamical density-functional theory…

Noncovalent van der Waals (vdW) interactions are responsible for a wide range of phenomena in matter. Popular density-functional methods that treat vdW interactions use disparate physical models for these intricate forces, and as a result…

Materials Science · Physics 2020-04-15 Jan Hermann , Alexandre Tkatchenko

We present a theoretical study of quantum correlations between interacting photons realized through co-propagating Rydberg polaritons. We show that the spatial evolution of the $n$-photon wavefunction is governed by a multiband dispersion…

At the quantum many-body level, atom-light interfaces generally remain challenging to solve for or understand in a non-perturbative fashion. Here, we consider a waveguide quantum electrodynamics model, where two-level atoms interact with…

Quantum Physics · Physics 2021-09-15 Nikos Fayard , Loïc Henriet , Ana Asenjo-Garcia , Darrick Chang

Polymorphs in molecular crystals are often very close in energy, yet they may possess markedly different physical and chemical properties. The understanding and prediction of polymorphism is of paramount importance for a variety of…

Waveguide quantum electrodynamics (QED) studies the interaction between quantum emitters and guided photons in one-dimension. When the waveguide hosts interacting photons, it becomes a platform to explore many-body quantum optics. However,…

Quantum Physics · Physics 2025-05-07 Federico Roccati

By analyzing the many-body problem for non-relativistic electrons strongly coupled to photon modes of a microcavity I derive the exact momentum/force balance equation for cavity quantum electrodynamics. Implications of this equation for the…

Mesoscale and Nanoscale Physics · Physics 2018-12-14 I. V. Tokatly

We present a structured force reformulation of the many-body dispersion (MBD) model that enables a physically consistent decomposition of forces into pairwise components. By introducing a many-body correlation matrix that scales…

Computational Physics · Physics 2026-04-14 Zhaoxiang Shen , Raúl I. Sosa , Stéphane P. A. Bordas , Alexandre Tkatchenko , Jakub Lengiewicz

Light and matter share fundamental statistical properties, yet the experimental probes of quantum optics and many-body physics have largely evolved along separate trajectories. While many-body physics explores emergent collective phenomena,…

We introduce a system-independent method to derive effective atomic C$_6$ coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in…

Materials Science · Physics 2016-09-05 Martin Stöhr , Georg S. Michelitsch , John C. Tully , Karsten Reuter , Reinhard J. Maurer

We consider the nonstationary circuit QED architecture in which a single-mode cavity interacts with N>1 identical qubits, and some system parameters undergo a weak external perturbation. It is shown that in the dispersive regime one can…

Quantum Physics · Physics 2018-02-16 A. V. Dodonov

We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our…

Quantum Physics · Physics 2018-04-16 Johannes Flick , Christian Schäfer , Michael Ruggenthaler , Heiko Appel , Angel Rubio

Quantum-electrodynamical density-functional theory (QEDFT) provides a first-principles framework for describing materials coupled to quantized electromagnetic fields. While QEDFT has successfully captured cavity-induced modifications of…

Materials Science · Physics 2026-03-26 Benshu Fan , I-Te Lu , Michael Ruggenthaler , Angel Rubio

Coherent exchange between photons and different matter excitations (like qubits, acoustic surface waves or spins) allows for the entanglement of light and matter and provides a toolbox for performing fundamental quantum physics. On top of…

Mesoscale and Nanoscale Physics · Physics 2019-07-08 María José Martínez-Pérez , David Zueco

We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…

Materials Science · Physics 2015-05-14 Yosuke Kanai , Jeffrey C. Grossman

Recent experimental progress in the field of cavity quantum electrodynamics allows to study the regime of strong interaction between quantized light and complex matter systems. Due to the coherent coupling between photons and matter-degrees…

Quantum Physics · Physics 2021-02-24 Florian Buchholz

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

We introduce a model of quantum magnetism induced by the non-perturbative exchange of microwave photons between distant superconducting qubits. By interconnecting qubits and cavities, we obtain a spin-boson lattice model that exhibits a…

Quantum Physics · Physics 2014-05-12 Andreas Kurcz , Alejandro Bermudez , Juan José García-Ripoll

We evaluate the density matrix of an arbitrary quantum mechanical system in terms of the quantities pertinent to the solution of the time-dependent density functional theory (TDDFT) problem. Our theory utilizes the adiabatic connection…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Vladimir U. Nazarov

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori