Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866909971286851584 |
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| author | Tasci, Cankut Cunha, Leonardo A. Flick, Johannes |
| author_facet | Tasci, Cankut Cunha, Leonardo A. Flick, Johannes |
| contents | We introduce an electron-photon exchange-correlation functional for quantum electrodynamical density-functional theory (QEDFT). The approach, photon MBD (pMBD), is inspired by the many-body dispersion (MBD) method for weak intermolecular interactions, which is generalized to include both electronic and photonic (electromagnetic) degrees of freedom on the same footing. We demonstrate that pMBD accurately captures effects that arise in the context of strong light-matter interactions, such as anisotropic electron-photon interactions, beyond single-photon effects, and cavity modulated van der Waals interactions. Moreover, we show that pMBD is computationally efficient and allows simulations of large complex systems coupled to optical cavities. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_04765 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems Tasci, Cankut Cunha, Leonardo A. Flick, Johannes Chemical Physics Materials Science Computational Physics Quantum Physics We introduce an electron-photon exchange-correlation functional for quantum electrodynamical density-functional theory (QEDFT). The approach, photon MBD (pMBD), is inspired by the many-body dispersion (MBD) method for weak intermolecular interactions, which is generalized to include both electronic and photonic (electromagnetic) degrees of freedom on the same footing. We demonstrate that pMBD accurately captures effects that arise in the context of strong light-matter interactions, such as anisotropic electron-photon interactions, beyond single-photon effects, and cavity modulated van der Waals interactions. Moreover, we show that pMBD is computationally efficient and allows simulations of large complex systems coupled to optical cavities. |
| title | Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems |
| topic | Chemical Physics Materials Science Computational Physics Quantum Physics |
| url | https://arxiv.org/abs/2404.04765 |