Literature DB >> 25167487

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

I V Tokatly1.   

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.

Mesh:

Year:  2013        PMID: 25167487     DOI: 10.1103/PhysRevLett.110.233001

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  15 in total

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

Authors:  Johannes Flick; Michael Ruggenthaler; Heiko Appel; Angel Rubio
Journal:  Proc Natl Acad Sci U S A       Date:  2017-03-08       Impact factor: 11.205

2.  Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

Authors:  Johannes Flick; Michael Ruggenthaler; Heiko Appel; Angel Rubio
Journal:  Proc Natl Acad Sci U S A       Date:  2015-12-01       Impact factor: 11.205

3.  Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis.

Authors:  Junjie Yang; Qi Ou; Zheng Pei; Hua Wang; Binbin Weng; Zhigang Shuai; Kieran Mullen; Yihan Shao
Journal:  J Chem Phys       Date:  2021-08-14       Impact factor: 4.304

4.  Case studies of the time-dependent potential energy surface for dynamics in cavities.

Authors:  Phillip Martinez; Bart Rosenzweig; Norah M Hoffmann; Lionel Lacombe; Neepa T Maitra
Journal:  J Chem Phys       Date:  2021-01-07       Impact factor: 3.488

5.  Combining density functional theory with macroscopic QED for quantum light-matter interactions in 2D materials.

Authors:  Mark Kamper Svendsen; Yaniv Kurman; Peter Schmidt; Frank Koppens; Ido Kaminer; Kristian S Thygesen
Journal:  Nat Commun       Date:  2021-05-13       Impact factor: 14.919

6.  Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems.

Authors:  Johannes Flick; Heiko Appel; Michael Ruggenthaler; Angel Rubio
Journal:  J Chem Theory Comput       Date:  2017-03-21       Impact factor: 6.006

7.  Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State.

Authors:  Johannes Flick; Christian Schäfer; Michael Ruggenthaler; Heiko Appel; Angel Rubio
Journal:  ACS Photonics       Date:  2018-01-09       Impact factor: 7.529

8.  Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics.

Authors:  Christian Schäfer; Michael Ruggenthaler; Vasil Rokaj; Angel Rubio
Journal:  ACS Photonics       Date:  2020-02-26       Impact factor: 7.529

Review 9.  Strong light-matter interactions: a new direction within chemistry.

Authors:  Manuel Hertzog; Mao Wang; Jürgen Mony; Karl Börjesson
Journal:  Chem Soc Rev       Date:  2019-02-04       Impact factor: 54.564

10.  Reduced Density-Matrix Approach to Strong Matter-Photon Interaction.

Authors:  Florian Buchholz; Iris Theophilou; Soeren E B Nielsen; Michael Ruggenthaler; Angel Rubio
Journal:  ACS Photonics       Date:  2019-09-05       Impact factor: 7.529

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