Evidence map›Paper›PMID 38189259›Full record

ArticleJournal of chemical theory and computation2024

Mark Kamper Svendsen, Kristian Sommer Thygesen, Angel Rubio, Johannes Flick

Abstract read
In one paragraph

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.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

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.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Article
  5. Article
  6. Review
  7. Cavity-enhanced superconductivity in MgBProceedings of the National Academy of Sciences of the United States of America · 2024
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Mark Kamper SvendsenMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of Physics, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0001-9718-849X
Kristian Sommer ThygesenComputational Atomic scale Materials Design (CAMD), Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.ORCID 0000-0001-5197-214X
Angel RubioMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of Physics, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0003-2060-3151
Johannes FlickCenter for Computational Quantum Physics, Flatiron Institute, 10010 New York, New York, United States.ORCID 0000-0003-0273-7797

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

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

PMID38189259
PMCPMC10809713

What OpenQuestion holds

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LicenceCC BY
Read underepoch 390

Registered trials

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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.