ArticleJournal of chemical theory and computation2024
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
7 citing papers in PubMed.
- Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities.Journal of chemical theory and computation · 2026Article
- Highly Selective Photocatalytic Degradation of Organic Pollutants by ZnO@C Core-Shell Nanoparticles Via Superoxide Radical Pathway.Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Collectively-Modified Intermolecular Electron Correlations: The Connection of Polaritonic Chemistry and Spin Glass Physics.Chemical reviews · 2026Review
- Investigating Cavity Quantum Electrodynamics-Enabled Endo/Exo-Selectivities in a Diels-Alder Reaction.The journal of physical chemistry. A · 2025Article
- On-demand heralded MIR single-photon source using a cascaded quantum system.Science advances · 2025Article
- Chemistry Meets Plasmon Polaritons and Cavity Photons: A Perspective from Macroscopic Quantum Electrodynamics.The journal of physical chemistry letters · 2025Review
- Cavity-enhanced superconductivity in MgBProceedings of the National Academy of Sciences of the United States of America · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years because of the prospect of altering both the physical and chemical properties of molecules and materials. Because this emerging field draws on ideas from both condensed-matter physics and quantum optics, it has attracted the attention of theoreticians from both fields. While the former often employ accurate descriptions of the electronic structure of the matter, the description of the electromagnetic environment is often oversimplified. In contrast, the latter often employs sophisticated descriptions of the electromagnetic environment while using oversimplified few-level approximations of the electronic structure. Both approaches are problematic because the oversimplified descriptions of the electronic system are incapable of describing effects such as light-induced structural changes in the electronic system, while the oversimplified descriptions of the electromagnetic environments can lead to unphysical predictions because the light-matter interactions strengths are misrepresented. In this work, we overcome these shortcomings and present the first method which can quantitatively describe both the electronic system and general electromagnetic environments from first principles. We realize this by combining macroscopic QED (MQED) with Quantum Electrodynamical Density-Functional Theory. To exemplify this approach, we consider the example of an absorbing spherical cavity and study the impact of different parameters of both the environment and the electronic system on the transition from weak-to-strong coupling for different aromatic molecules. As part of this work, we also provide an easy-to-use tool to calculate the cavity coupling strengths for simple cavity setups. Our work is a significant step toward parameter-free
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.