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Linear-response quantum electrodynamical density functional theory (QEDFT) enables the description of molecular spectra under strong coupling to quantized photonic modes, such as those in optical cavities. Recently, this approach was…

Chemical Physics · Physics 2025-07-11 Lukas Konecny , Valeriia P. Kosheleva , Michael Ruggenthaler , Michal Repisky , Angel Rubio

Polaritonic chemistry is an interdisciplinary emerging field that presents several challenges and opportunities in chemistry, physics, and engineering. A systematic review of polaritonic response theory is presented, following a chemical…

Chemical Physics · Physics 2023-05-08 Matteo Castagnola , Rosario R. Riso , Alberto Barlini , Enrico Ronca , Henrik Koch

In this paper, we have developed a unitary variant of a double exponential coupled cluster theory, which is capable of mimicking the effects of connected excitations of arbitrarily high rank, using only rank-one and rank-two parametrization…

Chemical Physics · Physics 2022-11-23 Dipanjali Halder , V. S. Prasannaa , Rahul Maitra

Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…

Atomic Physics · Physics 2018-03-14 Cheng-Bin Li , Yan-Mei Yu , B. K. Sahoo

A potential phase transition between a normal ground state and a photon-condensed ground state in many-dipole light-matter systems is a topic of considerable controversy, exasperated by conflicting no-go and counter no-go theorems and often…

Quantum Physics · Physics 2025-03-27 Daniele Lamberto , Omar Di Stefano , Stephen Hughes , Franco Nori , Salvatore Savasta

We analyze the real-time electron-photon dynamics in long-range polariton-mediated energy transfer using a real-time quantum electrodynamics coupled cluster (RT-QED-CC) model, which allows for spatial and temporal visualization of transport…

Chemical Physics · Physics 2024-04-16 Matteo Castagnola , Marcus T. Lexander , Enrico Ronca , Henrik Koch

The ability to achieve ultra-strong coupling between light and matter promises to bring about new means to control material properties, new concepts for manipulating light at the atomic scale, and fundamentally new insights into quantum…

Quantum Physics · Physics 2019-05-22 Nicholas Rivera , Johannes Flick , Prineha Narang

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction…

Quantum Physics · Physics 2019-01-07 Joonho Lee , William J. Huggins , Martin Head-Gordon , K. Birgitta Whaley

Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…

Quantum Physics · Physics 2024-06-06 Luca Erhart , Yuichiro Yoshida , Viktor Khinevich , Wataru Mizukami

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

Light-front coordinates offer a scenario in which a constituent picture of hadron structure can emerge from QCD, after several difficulties are addressed. Field theoretic difficulties force us to introduce cutoffs that violate Lorentz…

High Energy Physics - Theory · Physics 2008-02-03 Robert J. Perry

Quantum electrodynamics in 2+1-dimensions (QED$_3$) is a strongly coupled conformal field theory (CFT) of a U(1) gauge field coupled to $2N$ two-component massless fermions. The $N=2$ CFT has been proposed as a ground state of the spin-1/2…

Strongly Correlated Electrons · Physics 2017-07-05 Alex Thomson , Subir Sachdev

We develop the coherent state representation of lattice vibrations to describe their interactions with charge carriers. In direct analogy to quantum optics, the coherent state representation leads from quantized lattice vibrations (phonons)…

Mesoscale and Nanoscale Physics · Physics 2022-08-24 Donghwan Kim , Alhun Aydin , Alvar Daza , Kobra N. Avanaki , Joonas Keski-Rahkonen , Eric J. Heller

Quantum error correction was invented to allow for fault-tolerant quantum computation. Systems with topological order turned out to give a natural physical realization of quantum error correcting codes (QECC) in their groundspaces. More…

Quantum Physics · Physics 2019-09-17 Fernando G. S. L. Brandao , Elizabeth Crosson , M. Burak Şahinoğlu , John Bowen

We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of application to all types of fermion-boson coupled systems. We show…

Weakly nonlinear energy transfer between normal modes of strongly resonant PDEs is captured by the corresponding effective resonant systems. In a previous article, we have constructed a large class of such resonant systems (with specific…

Mathematical Physics · Physics 2019-10-01 Anxo Biasi , Piotr Bizon , Oleg Evnin

A simple procedure to incorporate one-loop quantum electrodynamic (QED) corrections into the generalized (Gatchina) nonlocal shape-consistent relativistic pseudopotential model is described. The pseudopotentials for Lu, Tl, and Ra replacing…

The availability of certain entangled resource states (catalyst states) can enhance the rate of converting several less entangled states into fewer highly entangled states in a process known as catalytic entanglement concentration (EC).…

Quantum Physics · Physics 2026-05-19 Hemant Sharma , Aleksandr Mokeev , Jonas Helsen , Johannes Borregaard

A causal, non-Hermitian, renormalizable, local, unitary and Lorentz convariant formulation of Quantum Theory (QT) (= Quantum Mechanics (QM) and Quantum Field Theory (QFT)) is developed which is free of formalistic problems we face in the…

High Energy Physics - Phenomenology · Physics 2011-07-19 F. Kleefeld

The many experimental puzzles of solid hydrogen, that seem to defy the generally accepted view of condensed matter, are shown to be a rather straightforward consequence of a new approach to condensed matter physics, that takes into account…

Materials Science · Physics 2007-05-23 M. Buzzacchi , E. Del Giudice , G. Preparata , S. S. Xue
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