非相对论量子电动力学中的非微扰质量重整化效应
Non-perturbative Mass Renormalization Effects in Non-relativistic Quantum Electrodynamics
AI总结：
本研究聚焦一维多模光子系统，探究非微扰质量重整化对量子物质性质的影响，揭示其与现有近似的差异，为极化激元化学等新兴领域提供理论支撑。
摘要：
本研究探究了多模光子环境（例如光学腔）对量子物质性质的影响。我们强调了非微扰质量重整化过程对于从头算量子电动力学模拟的重要性，以及它与极化激元化学和腔材料工程中常用近似方法的关联。我们聚焦于可针对大量光子模式精确求解的一维系统。首先，我们将质量重整化应用于自由粒子，重整化质量的数值取决于光子环境的细节以及粒子的数量。随后我们展示了多模光子场如何影响原子与分子系统的各类基态及激发态性质：例如，我们观测到原子系统中束缚势内的粒子约束效应增强，以及光子介导的长程相互作用导致分子二聚体的势能面发生改变。我们还对比了这些变化与电子结构理论和量子化学中常用的自由空间质量重整化近似的差异。由于这类现象在腔环境的强光-物质耦合下会得到增强，它们将在极化激元化学和腔材料工程等新兴领域中具有重要意义。
英文摘要：
In this work we investigate the effects that multi-mode photonic environments, e.g., optical cavities, have on the properties of quantum matter. We highlight the importance of the non-perturbative mass renormalization procedure for ab initio quantum electrodynamics simulations and how it connects to common approximations used in polaritonic chemistry and cavity materials engineering. We focus on one-dimensional systems which can be solved exactly for large number of photon modes. First, we apply mass renormalization to free particles. The value of the renormalized mass depends on the details of the photonic environment and on the number of particles. We then show how the multi-mode photon field influences various ground- and excited-state properties of atomic and molecular systems. For instance, we observe the enhancement of particle confinement in the binding potential for the atomic system, and the modification of the potential energy surfaces of the molecular dimer due to photon-mediated long-range interactions. We also highlight how these changes compare to the common free-space mass-renormalization approximation employed in electronic structure theory and quantum chemistry. Since such phenomena are enhanced under strong light-matter coupling in a cavity environment they will become relevant for the emerging fields of polaritonic chemistry and cavity materials engineering.
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