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In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…

Chemical Physics · Physics 2021-10-05 Simone Taioli , Stefano Simonucci

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

We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…

Quantum Physics · Physics 2012-02-24 Laura K. McKemmish , Ross H. McKenzie , Noel S. Hush , Jeffrey R. Reimers

We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…

Strongly Correlated Electrons · Physics 2020-05-27 Jiajun Li , Denis Golez , Giacomo Mazza , Andrew Millis , Antoine Georges , Martin Eckstein

We introduce a well-defined and unbiased measure of the strength of correlations in quantum many-particle systems which is based on the relative von Neumann entropy computed from the density operator of correlated and uncorrelated states.…

Strongly Correlated Electrons · Physics 2015-05-30 K. Byczuk , J. Kunes , W. Hofstetter , D. Vollhardt

We review the modern classical electrodynamics problems and present the related main fundamental principles characterizing the electrodynamical vacuum-field structure. We analyze the models of the vacuum field medium and charged point…

Mathematical Physics · Physics 2015-11-03 Nikolai N. Bogolubov , Denis Blackmore , Anatolij K. Prykarpatsky

We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…

Other Condensed Matter · Physics 2009-11-10 Robert Englman , Asher Yahalom

Strong coupling with circularly polarized vacuum fluctuations offers a viable route to manipulate molecular chirality. While experiments are advancing toward the realization of chiral cavities, a mean-field theoretical framework for…

Chemical Physics · Physics 2025-10-23 Yassir El Moutaoukal , Rosario R. Riso , Andrea Bianchi , Henrik Koch

In this work, we detail different approaches to treat multi-mode photonic environments within non-relativistic quantum electrodynamics in the long-wavelength approximation efficiently. Specifically we show that for equilibrium properties of…

Quantum Physics · Physics 2025-12-08 Davis M. Welakuh , Vasil Rokaj , Michael Ruggenthaler , Angel Rubio

The use of electric fields to modify chemical reactions is a promising, emerging technique in catalysis. However, there exist few guiding principles, and rational design requires assumptions about the transition state or explicit atomistic…

Chemical Physics · Physics 2021-12-01 Norah M. Hoffmann , Xiao Wang , Timothy C. Berkelbach

In order to make progress towards more realistic models of holographic fermion physics, we use gauge/gravity duality to compute the dispersion relations for quasinormal modes and collective modes for the electron cloud background, i.e. the…

High Energy Physics - Theory · Physics 2019-03-27 Ulf Gran , Marcus Tornsö , Tobias Zingg

A new relativistic description of quantum electrodynamics is presented. Guideline of the theory is the Klein-Gordon equation, which is reformulated to consider spin effects. This is achieved by a representation of relativistic vectors with…

High Energy Physics - Theory · Physics 2018-10-23 S. Ulrych

Using gauge transformations on electron bond operators, we derive exact duality relations between various order parameters for correlated electron systems. Applying these transformations, we find two duality relations in the generalized…

Strongly Correlated Electrons · Physics 2007-05-23 Tsutomu Momoi , Toshiya Hikihara

In recent years tremendous progress in the field of light-matter interactions has unveiled that strong coupling to the modes of an optical cavity can alter chemistry even at room temperature. Despite these impressive advances, many…

Chemical Physics · Physics 2020-05-20 Dominik Sidler , Michael Ruggenthaler , Heiko Appel , Angel Rubio

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…

Strongly Correlated Electrons · Physics 2015-06-22 Mehdi Farzanehpour , I. V. Tokatly

This work applies the contact formalism of classical mechanics and classical field theory, introduced by Herglotz and later developed in the context of contact geometry, to describe electromagnetic systems with dissipation. In particular,…

Classical Physics · Physics 2022-09-07 Jordi Gaset , Adrià Marín-Salvador

We consider a Pauli-Fierz Hamiltonian for a particle coupled to a photon field. We discuss the effects of the increase of the binding energy and enhanced binding through coupling to a photon field, and prove that both effects are the…

Mathematical Physics · Physics 2015-06-26 Thomas Chen , Vitali Vougalter , Semjon A. Vugalter

Two-dimensional interacting electron systems become strongly correlated if the electrons are subject to a perpendicular high magnetic field. After introducing the physics of the quantum Hall regime the incompressible many- particle ground…

Mesoscale and Nanoscale Physics · Physics 2016-07-27 Marcus Kasner

The virial expansion characterizes the high-temperature approach to the quantum-classical crossover in any quantum many-body system. Here, we calculate the virial coefficients up to the fifth-order of Fermi gases in 1D, 2D, and 3D, with…

Quantum Gases · Physics 2020-09-16 Y. Hou , J. E. Drut

We consider transport through finite quantum systems such as quantum barriers, wells, dots or junctions, coupled to local vibrational modes in the quantal regime. As a generic model we study the Holstein-Hubbard Hamiltonian with…

Strongly Correlated Electrons · Physics 2009-11-13 H. Fehske , G. Wellein , J. Loos , A. R. Bishop