发表机构
Università degli Studi di Perugia; Norwegian University of Science and Technology（佩鲁贾大学; 挪威科技大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本文通过引入腔品质因子Q扩展Pauli-Fierz哈密顿量，量化腔耗散对光-物质强耦合的影响，发现实际腔损耗可使Rabi分裂降低超20%，强调需在模拟中纳入真实损耗。
AI 中文摘要
腔量子电动力学（Cavity-QED）为控制光-物质相互作用提供了强大的框架，然而第一性原理方法通常假设理想、无损耗的腔场。在此，我们引入了对Pauli-Fierz哈密顿量的最小扩展，通过实验可获取的腔品质因子Q来考虑腔耗散。电磁场在极弱阻尼近似下被描述为阻尼谐振子。在此框架中，腔损耗仅进入光-物质相互作用和偶极自能项，而不引入额外的光子自由度。时间相关的幺正变换产生了一个实值的厄米哈密顿量，该哈密顿量可以纳入现有的从头算QED方法中，而无需额外的计算成本或改变标度。我们将该方法与QED-CCSD方法结合，研究了强光-物质耦合下腔耗散对p-硝基苯胺分子光谱的影响。我们发现，对于实际的品质因子，与理想腔极限相比，腔耗散可将Rabi分裂减少超过20%，尽管系统仍处于强耦合区域。向理想腔极限的收敛则需要比建立强耦合所需的品质因子高得多的品质因子。这些结果表明，腔耗散可以显著影响极化激元能量学，并强调了将实验上真实的腔损耗纳入定量从头算Cavity-QED模拟以准确指导实验方案的重要性。
英文摘要
Cavity Quantum Electrodynamics (Cavity-QED) offers a powerful framework for controlling light-matter interactions, yet first-principles approaches commonly assume ideal, lossless cavity fields. Here, we introduce a minimal extension to the Pauli-Fierz Hamiltonian that accounts for cavity dissipation through the experimentally accessible cavity quality factor Q. The electromagnetic field is described as a damped harmonic oscillator within the very weak damping approximation. In this framework, cavity losses only enter the light-matter interaction and dipole self-energy terms, without introducing additional photonic degrees of freedom. A time-dependent unitary transformation yields a real-valued Hermitian Hamiltonian that can be incorporated into existing ab-initio QED methods without additional computational cost or changes in scaling. We combined the approach to the QED-CCSD method and investigated the effects of cavity dissipation on the optical spectrum of a p-nitroaniline molecule under strong light-matter coupling. We found that, for realistic quality factors, cavity dissipation can reduce the Rabi splitting by more than 20% compared to the ideal-cavity limit, even though the system remains in the strong-coupling regime. Convergence towards the ideal-cavity limit then requires substantially higher quality factors than those needed to establish strong coupling. These results demonstrate that cavity dissipation can significantly affect polaritonic energetics and highlight the importance of incorporating experimentally realistic cavity losses into quantitative ab-initio Cavity-QED simulations to accurately guide experimental protocols.
Comments18 pages, 4 figure
