ArticleJournal of chemical theory and computation2025
Molecular Polarizability under Vibrational Strong Coupling.
Article in Journal of chemical theory and computation, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Ultrafast triggering of strong coupling in a semiconductor terahertz Fabry-Pérot cavity.Light, science & applications · 2026Article
- Collective Rabi-Driven Vibrational Activation in Molecular Polaritons.Nano letters · 2026Article
- Collectively-Modified Intermolecular Electron Correlations: The Connection of Polaritonic Chemistry and Spin Glass Physics.Chemical reviews · 2026Review
- Cluster Formation and Phase Transitions Induced by Vibrational Strong Coupling.Angewandte Chemie (International ed. in English) · 2026Article
- Density-functional tight binding meets Maxwell: unraveling the mysteries of (strong) light-matter coupling efficiently.Nanophotonics (Berlin, Germany) · 2025Article
- Perspective on Many-Body Methods for Molecular Polaritonic Systems.Journal of chemical theory and computation · 2025Review
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Authors and funding
2 authors.
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Abstract
Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes in optical cavities. Despite considerable theoretical progress, and due to the complexity of the coupled light-matter system, the fundamental mechanism of how and if collective strong coupling can induce local changes in individual molecules is still unclear. We derive an analytical formulation of static polarizabilities within linear-response theory for molecules under strong coupling using the cavity Born-Oppenheimer Hartree-Fock ansatz. This ab-initio method consistently describes vibrational strong coupling and electron-photon interactions even for ensembles of molecules. For different types of molecular ensembles, we observed local changes in the polarizabilities and dipole moments that are induced by collective strong coupling. Furthermore, we used the polarizabilities to calculate vibro-polaritonic Raman spectra in the harmonic approximation. This allows us to comprehensively compare the effect of vibrational strong coupling on IR and Raman spectra on an equal footing.
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