Ring polymer quantization of the photon field in polariton chemistry
Ring polymer quantization of the photon field in polariton chemistry
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DOI：
10.1063/5.0038330
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发表时间：
2021-01-28
影响因子：
4.4
通讯作者：
Huo, Pengfei
中科院分区：
文献类型：
--
作者：
Chowdhury, Sutirtha N.;Mandal, Arkajit;Huo, Pengfei
我们使用环聚合物（RP）表示来量化光学腔内的辐射场，以研究极化子量子动力学。使用耦合到光学腔的电荷转移模型，我们证明了与费米黄金法则相比，光子场的 RP 量子化提供了极化子介导的电子转移反应的准确速率常数。由于RP量子化使用扩展的相空间来描述光子场，因此与常用的辐射场的Fock态描述相比，它显着降低了计算成本。与光子场的其他准经典描述（例如基于经典维格纳的平均场 Ehrenfest 模型）相比，RP 表示提供了对极化量子动力学的更准确的描述，因为它减轻了与光子自由度 (DOF) 相关的潜在量子分布泄漏问题。这项工作证明了使用环聚合物描述来处理极化子化学中的量子化辐射场的可能性，为腔量子电动力学的未来研究提供了准确有效的方法。
We use the ring polymer (RP) representation to quantize the radiation field inside an optical cavity to investigate polariton quantum dynamics. Using a charge transfer model coupled to an optical cavity, we demonstrate that the RP quantization of the photon field provides accurate rate constants of the polariton mediated electron transfer reaction compared to Fermi's golden rule. Because RP quantization uses extended phase space to describe the photon field, it significantly reduces the computational costs compared to the commonly used Fock state description of the radiation field. Compared to the other quasi-classical descriptions of the photon field, such as the classical Wigner based mean-field Ehrenfest model, the RP representation provides a much more accurate description of the polaritonic quantum dynamics because it alleviates the potential quantum distribution leakage problem associated with the photonic degrees of freedom (DOF). This work demonstrates the possibility of using the ring polymer description to treat the quantized radiation field in polariton chemistry, offering an accurate and efficient approach for future investigations in cavity quantum electrodynamics.