Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First Principles

• Main Authors: Johansson, G. (Author), Schäfer, C. (Author)
• Format: Article
• Language: English
• Published: American Physical Society 2022
• Subjects: Chemical bonds; Density functional theory; Electromagnetic environments; Electronic structure; Electronic.structure; First principles; Light-matter interactions; Radiation reactions; Radiative emissions; Reaction forces; Simple approach; Spectra's; State of the art
• Online Access: View Fulltext in Publisher

 We introduce a simple approach to how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-reaction forces. We demonstrate that this self-consistently provides access to radiative emission, natural linewidth, Lamb shifts, strong coupling, electromagnetically induced transparency, Purcell-enhanced and superradiant emission. As an example, we illustrate its seamless integration into time-dependent density-functional theory with virtually no additional cost, presenting a convenient shortcut to light-matter interactions. © 2022 authors. Published by the American Physical Society.