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Time-dependent density functional theory for many-electron systems interacting with cavity photons.

Ilya V. Tokatly
- 04 Jun 2013 - 
- Vol. 110, Iss: 23, pp 233001
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TLDR
It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates that naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.
Abstract
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.

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Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

TL;DR: This work provides an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems and which effects can be anticipated.
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Polaritonic Chemistry with Organic Molecules

TL;DR: Polaritonic chemistry with organic molecules has been studied in this paper, where strong coupling and the associated formation of polaritons, hybrid light-matter excitations, lead to energy shifts in such systems that can amount to a large fraction of the uncoupled transition energy.
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Perspective: Fundamental aspects of time-dependent density functional theory.

TL;DR: This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.
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Cavity-induced modifications of molecular structure in the strong-coupling regime

TL;DR: In this paper, the authors proposed an approach to solve the problem of the Spanish MINECO under the European Research Council (ERC-2011-AdG Proposal No. 290981), by the European Union Seventh Framework Programme under Grant Agreement FP7-PEOPLE-2013-CIG-618229, and by the Spanish National Institute of Mining and Energy (MINECO) under Contracts No. MAT2011-28581-C02-01, MAT2014-53432-C5-5-R
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Strong light–matter interactions: a new direction within chemistry

TL;DR: Strong light–matter coupling enables the possibility of changing the properties of molecules, without modifying their chemical structures, thus enabling a completely new way to study chemistry and explore materials.
References
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Journal ArticleDOI

Inhomogeneous Electron Gas

TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI

Density-Functional Theory for Time-Dependent Systems

TL;DR: In this article, a time-dependent version of density functional theory was proposed to deal with the non-perturbative quantum mechanical description of interacting many-body systems moving in a very strong timedependent external field.
Journal ArticleDOI

Strong coupling of a single photon to a superconducting qubit using circuit quantum electrodynamics

TL;DR: It is shown that the strong coupling regime can be attained in a solid-state system, and the concept of circuit quantum electrodynamics opens many new possibilities for studying the strong interaction of light and matter.
Journal ArticleDOI

Cavity quantum electrodynamics for superconducting electrical circuits: An architecture for quantum computation

TL;DR: In this paper, a realizable architecture using one-dimensional transmission line resonators was proposed to reach the strong coupling limit of cavity quantum electrodynamics in superconducting electrical circuits.
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