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The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…

Quantum Physics · Physics 2022-11-30 Justin Malave , Alexander Ahrens , Daniel Pitagora , Cody Covington , Kálmán Varga

Microwave cavities with high quality factors enable coherent coupling of distant quantum systems. Virtual photons lead to a transverse exchange interaction between qubits, when they are non-resonant with the cavity but resonant with each…

Quantum Physics · Physics 2011-06-24 S. Filipp , M. Göppl , J. M. Fink , M. Baur , R. Bianchetti , L. Steffen , A. Wallraff

The macroscopic behaviors of materials are determined by interactions that occur at multiple lengths and time scales. Depending on the application, describing, predicting, and understanding these behaviors require models that rely on…

Computational Engineering, Finance, and Science · Computer Science 2026-01-29 Zhaoxiang Shen , Raúl I. Sosa , Stéphane P. A. Bordas , Alexandre Tkatchenko , Jakub Lengiewicz

While the fundamental principles of light-matter interaction are well-understood and drive countless technologies, the world of multiphoton processes remains a fascinating puzzle, holding the potential to drastically alter our understanding…

Optics · Physics 2024-05-30 Fatemeh Mostafavi

Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…

Materials Science · Physics 2009-11-13 S. Sharma , J. K. Dewhurst , N. N. Lathiotakis , E. K. U. Gross

The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years due to the prospect of altering physical and chemical properties of molecules and materials. Because this emerging field draws on…

Quantum Physics · Physics 2024-01-10 Mark Kamper Svendsen , Kristian Sommer Thygesen , Angel Rubio , Johannes Flick

When atoms are coupled to a common electromagnetic environment, the exchange of photons through dipole-dipole interactions leads to the emergence of cooperative effects. As a particular example, superradiance arises from spontaneous…

Quantum Physics · Physics 2024-09-11 Hanzhen Ma , Oriol Rubies-Bigorda , Susanne F. Yelin

There is currently great interest in the strong coupling between the quantized photon field of a cavity and electronic or other degrees of freedom in materials. A major goal is the creation of novel collective states entangling photons with…

Strongly Correlated Electrons · Physics 2019-01-15 Giacomo Mazza , Antoine Georges

Starting from a general material system of $N$ particles coupled to a cavity, we use a coherent-state path integral formulation to produce a non-perturbative effective theory for the material degrees of freedom. We tackle the effects of…

Quantum Physics · Physics 2022-05-11 Juan Román-Roche , David Zueco

We present our successful implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) for electronic and bosonic amplitudes, covering both individual and mixed excitation processes…

Quantum Physics · Physics 2024-09-12 Himadri Pathak , Nicholas P. Bauman , Ajay Panyala , Karol Kowalski

The accuracy of applying density functional theory to noncovalent interactions is hindered by errors arising from low-density regions of interaction-induced change in the density gradient, error compensation between correlation and exchange…

Chemical Physics · Physics 2014-10-22 Marcin Modrzejewski , Grzegorz Chałasiński , Małgorzata M. Szczęśniak

The radiative quantum cascade, i.e. the consecutive emission of photons from a ladder of energy levels, is of fundamental importance in quantum optics. For example, the two-photon cascaded emission from calcium atoms was used in pioneering…

Within the framework of ab initio time-dependent density-functional theory (TD-DFT), we propose a static approximation to the exchange-correlation kernel based on the jellium-with-gap model. This kernel accounts for electron-hole…

We theoretically study the few- and many-body dynamics of photons in chiral waveguides. In particular, we examine pulse propagation through a system of $N$ two-level systems chirally coupled to a waveguide. We show that the system supports…

The interaction between excited states of a closed-shell chromophore and a nearby free radical species gives rise to spin-coupled doublet states, namely singdoublet and tripdoublet, as well as a quartet state. This coupling facilitates…

Chemical Physics · Physics 2025-03-25 Chenyu Liu , Yang Xu , Peng Bao , Yangyi Lu , Jiali Gao

Bound states of massive particles, such as nuclei, atoms or molecules, constitute the bulk of the visible world around us. In contrast, photons typically only interact weakly. We report the observation of traveling three-photon bound states…

We experimentally and theoretically investigate the scattering of a photonic quantum field from another stored in a strongly interacting atomic Rydberg ensemble. Considering the many-body limit of this problem, we derive an exact solution…

Interactions between light and matter play an instrumental role in many fields of science, giving rise to important applications in spectroscopy, sensing, quantum information processing, and lasers. In most of these applications, light is…

Optics · Physics 2023-03-22 Nicholas Rivera , Ido Kaminer

We study theoretically the simultaneous, photo-induced two-particle excitations of strongly correlated systems on the basis of the Hubbard model. Under certain conditions specified in this work, the corre- sponding transition probability is…

Strongly Correlated Electrons · Physics 2015-05-18 B. D. Napitu , J. Berakdar

A many-body Green's function approach to the microscopic theory of surface-enhanced Raman scattering is presented. Interaction effects between a general molecular system and a spatially anisotropic metal particle supporting plasmon…

Quantum Physics · Physics 2008-10-18 David J. Masiello , George C. Schatz