The light-matter correlation energy functional of the cavity-coupled two-dimensional electron gas via quantum Monte Carlo simulations
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arXiv
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866916991880658944 |
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| author | Weber, Lukas Morales, Miguel A. Flick, Johannes Zhang, Shiwei Rubio, Angel |
| author_facet | Weber, Lukas Morales, Miguel A. Flick, Johannes Zhang, Shiwei Rubio, Angel |
| contents | We perform extensive simulations of the two-dimensional cavity-coupled electron gas in a modulating potential as a minimal model for cavity quantum materials. These simulations are enabled by a newly developed quantum-electrodynamical (QED) auxiliary-field quantum Monte Carlo method. We present a procedure to greatly reduce finite-size effects in such calculations. Based on our results, we show that a modified version of weak-coupling perturbation theory is remarkably accurate for a large parameter region. We further provide a simple parameterization of the light-matter correlation energy as a functional of the cavity parameters and the electronic density. These results provide a numerical foundation for the development of the QED density functional theory, which was previously reliant on analytical approximations, to allow quantitative modeling of a wide range of systems with light-matter coupling. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_19222 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | The light-matter correlation energy functional of the cavity-coupled two-dimensional electron gas via quantum Monte Carlo simulations Weber, Lukas Morales, Miguel A. Flick, Johannes Zhang, Shiwei Rubio, Angel Strongly Correlated Electrons Optics Quantum Physics We perform extensive simulations of the two-dimensional cavity-coupled electron gas in a modulating potential as a minimal model for cavity quantum materials. These simulations are enabled by a newly developed quantum-electrodynamical (QED) auxiliary-field quantum Monte Carlo method. We present a procedure to greatly reduce finite-size effects in such calculations. Based on our results, we show that a modified version of weak-coupling perturbation theory is remarkably accurate for a large parameter region. We further provide a simple parameterization of the light-matter correlation energy as a functional of the cavity parameters and the electronic density. These results provide a numerical foundation for the development of the QED density functional theory, which was previously reliant on analytical approximations, to allow quantitative modeling of a wide range of systems with light-matter coupling. |
| title | The light-matter correlation energy functional of the cavity-coupled two-dimensional electron gas via quantum Monte Carlo simulations |
| topic | Strongly Correlated Electrons Optics Quantum Physics |
| url | https://arxiv.org/abs/2412.19222 |