ArticleJournal of chemical theory and computation2025
Strong Coupling Møller-Plesset Perturbation Theory.
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 7 papers.
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Who cites it
7 citing papers in PubMed.
- Polaritonic Coupled Cluster Theory for Unpolarized Cavities Exploiting Point-Group Symmetry.Journal of chemical theory and computation · 2026Article
- Collectively-Modified Intermolecular Electron Correlations: The Connection of Polaritonic Chemistry and Spin Glass Physics.Chemical reviews · 2026Review
- Cavity Born-Oppenheimer Coupled Cluster Theory: Toward Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime.Journal of chemical theory and computation · 2025Article
- Perspective on Many-Body Methods for Molecular Polaritonic Systems.Journal of chemical theory and computation · 2025Review
- Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory.Journal of chemical theory and computation · 2025Article
- A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments.Journal of chemical theory and computation · 2025Article
- Strong Coupling Quantum Electrodynamics Hartree-Fock Response Theory.The journal of physical chemistry. A · 2025Article
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Authors and funding
5 authors.
Funding
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Abstract
Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to systems where light and matter are strongly coupled is nontrivial. Specifically, the definition of suitable orbitals for the zeroth-order Hamiltonian represents a significant theoretical challenge. While reviewing previously investigated orbital choices, this work presents an alternative polaritonic orbital basis suitable for the strong coupling regime. We develop a quantum electrodynamical (QED) Møller-Plesset perturbation theory using orbitals obtained from the strong coupling QED Hartree-Fock. We assess the strengths and limitations of the different approaches with emphasis on frequency and coupling strength dispersions, intermolecular interactions and polarization orientational effects. The results show the essential role of using a consistent molecular orbital framework in order to achieve an accurate description of cavity-induced electron-photon correlation effects.
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