Conserving approximations in cavity quantum electrodynamics: Implications for density functional theory of electron-photon systems
arXiv:1809.10528 · doi:10.1103/PhysRevB.98.235123
Abstract
By analyzing the many-body problem for non-relativistic electrons strongly coupled to photon modes of a microcavity I derive the exact momentum/force balance equation for cavity quantum electrodynamics. Implications of this equation for the electron self-energy and the exchange-correlation potential of quantum electrodynamic time-dependent density functional (QED-TDDFT) are discussed. In particular I generalize the concept of -derivability to construct approximations which ensure the correct momentum balance. It is shown that a recently proposed optimized effective potential approximation for QED-TDDFT is conserving and its possible improvements are discussed.
9 pages, 1 figure
References in corpus (8)
- Circuit Quantum Electrodynamics with a Spin Qubit
- Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
- Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
- Cavity correlated electron-nuclear dynamics from first principles
- Coherent dynamics in cavity femtochemistry: application of the multi-configuration time-dependent Hartree method
- Conserving Approximations in Time-Dependent Density Functional Theory
- Shedding Light on Correlated Electron-Photon States using the Exact Factorization
- Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy
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