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Quantum Physics

Title: Real-Space, Real-Time Approach to Quantum-Electrodynamical Time-Dependent Density Functional Theory

Abstract: The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities show the accuracy of the approach. Examples include the coupling strength and light frequency dependence of the energies, wave functions, optical absorption spectra, and Rabi splitting magnitudes in cavities, as well as a description of high harmonic generation in cavities.
Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)
DOI: 10.1063/5.0123909
Cite as: arXiv:2209.00691 [quant-ph]
  (or arXiv:2209.00691v1 [quant-ph] for this version)

Submission history

From: Kalman Varga [view email]
[v1] Thu, 1 Sep 2022 18:49:51 GMT (7414kb)

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