论文标题
量子电动力学耦合群集理论的空腔调节电离电位和电子亲和力
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
论文作者
论文摘要
量子电动力学耦合群集（QED-CC）理论用于模拟真空场诱导的变化对一系列卤化钠化合物（NAX，X = F，CL，BR，I）的地面特性的变化。提出了电离电位（IP）和电子亲和力（EAS），并证明EAS很容易通过空腔相互作用调节，而这些化合物的IPS对腔的存在远不那么敏感。考虑实验可访问的耦合参数时，由QED-CC预测的EAS可以减少0.22 eV（或〜50％）。
Quantum electrodynamics coupled-cluster (QED-CC) theory is used to model vacuum-field-induced changes to ground-state properties of a series of sodium halide compounds (NaX, X = F, Cl, Br, I) strongly coupled to an optical cavity. Ionization potentials (IPs) and electron affinities (EAs) are presented, and it is demonstrated that EAs are easily modulated by cavity interactions, while IPs for these compounds are far less sensitive to the presence of the cavity. EAs predicted by QED-CC can be reduced by as much 0.22 eV (or ~50%) when considering experimentally-accessible coupling parameters.
