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Cavity polaritonics is capturing the imagination of the chemistry community because of the novel opportunities it creates to direct chemistry. Electron transfer (ET) reactions are among the simplest reactions, and they also underpin…

Quantum Physics · Physics 2022-08-12 Sutirtha N. Chowdhury , Peng Zhang , David N. Beratan

The paradigm of cavity QED is a two-level emitter interacting with a high quality factor single mode optical resonator. The hybridization of the emitter and photon wave functions mandates large vacuum Rabi frequencies and long coherence…

Quantum Physics · Physics 2020-02-19 Hadiseh Alaeian , Ralf Ritter , Muamera Basic , Robert Loew , Tilman Pfau

Here we present a fundamental study on how the ground-state chemical reactivity of a molecule can be modified in a QED scenario, i.e., when it is placed inside a cavity and there is strong coupling between the cavity field and vibrational…

Quantum Physics · Physics 2019-06-25 Javier Galego , Clàudia Climent , Francisco J. Garcia-Vidal , Johannes Feist

Strong coupling between molecules and quantized fields has emerged as an effective methodology to engineer molecular properties. New hybrid states are formed when molecules interact with quantized fields. Since the properties of these…

Chemical Physics · Physics 2023-06-28 Marco Romanelli , Rosario R. Riso , Tor S. Haugland , Enrico Ronca , Stefano Corni , Henrik Koch

Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to…

Nuclear Theory · Physics 2020-07-15 M. C. Barton , S. Jin , P. Magierski , K. Sekizawa , G. Wlazłowski , A. Bulgac

We present the basic concepts and our recent developments in the density functional approaches with the Skyrme functionals for describing nuclear dynamics at low energy. The time-dependent density-functional theory (TDDFT) is utilized for…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT…

Materials Science · Physics 2019-07-23 Dillon C. Yost , Yi Yao , Yosuke Kanai

Strong coupling between a single quantum emitter and an electromagnetic mode is one of the key effects in quantum optics. In the cavity QED approach to plasmonics, strongly coupled systems are usually understood as single-transition…

Recent developments in the relativistic nuclear field theory (RNFT) are reviewed. Based on the covariant meson-nucleon Lagrangian of quantum hadrodynamics, RNFT connects consistently the high-energy scale of heavy mesons, medium-energy…

Nuclear Theory · Physics 2017-02-06 Elena Litvinova , Caroline Robin

Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation functionals that produce even…

Chemical Physics · Physics 2017-09-26 Yang Yang , Kurt R. Brorsen , Tanner Culpitt , Michael V. Pak , Sharon Hammes-Schiffer

By modifying the density of optical states at the location of an emitter, weak cavity-emitter coupling can enable a host of potential applications in quantum optics, from the development of low- threshold lasers to brighter single-photon…

Optics · Physics 2011-11-03 Kasey J. Russell , Tsung-Li Liu , Shanying Cui , Evelyn L. Hu

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the…

Materials Science · Physics 2018-04-04 C. D. Pemmaraju , F. D. Vila , J. J. Kas , S. A. Sato , J. Rehr , K. Yabana , David Prendergast

Recent progress has been made in capturing spectral features of electronic states of double-excitation character in time-dependent density functional theory (TDDFT) through a frequency-dependent kernel. While it might appear that this…

Chemical Physics · Physics 2026-05-04 Dhyey Ray , Anna Baranova , Davood B. Dar , Neepa T. Maitra

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…

Entanglement is one of the key measures of quantum correlations present in nanophotonic systems, with promising applications in quantum optics and beyond. Previous studies have shown that the degree of entanglement between two quantum dot…

Quantum Physics · Physics 2025-12-19 Luke C. Ugwuoke , Tjaart P. J. Krüger , Mark S. Tame

Various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations exist. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the…

Atomic and Molecular Clusters · Physics 2015-06-11 P. Wopperer , P. M. Dinh , P. -G. Reinhard , E. Suraud

We theoretically investigated electron energy loss spectroscopy (EELS) of ultraviolet surface plasmon modes in aluminum nanodisks. Using full-wave simulations, we studied the impact of diameter on the resonant modes of the nanodisks. We…

Plasmonic nanocavities enable access to the quantum properties of matter, but are often simplified to single mode models despite their complex multimode structure. Here, we show that off-resonant plasmonic modes in fact play a crucial role…

Quantum Physics · Physics 2024-11-13 Angus Crookes , Ben Yuen , Angela Demetriadou

A powerful hybrid FDTD--TDDFT method is used to study the interaction between classical plasmons of a gold bowtie nanoantenna and quantum plasmons of graphene nanoflakes (GNFs) placed in the narrow gap of the nanoantenna. Due to the…

Optics · Physics 2019-04-16 Jian Wei You , Nicolae C. Panoiu

With the continuous emergence of molecular and cluster devices or systems, the relationship between the plasmonic properties of multiple clusters and molecular interactions and the properties of the original single cluster or molecule…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 Nan Gao , Guodong Zhu , Yingzhou Huang , Yurui Fang
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