Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics
Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics
复制标题
分子腔量子电动力学中规范模糊性的解决
DOI：
10.1103/physrevlett.125.123602
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发表时间：
2020
影响因子：
8.6
通讯作者：
Huo, Pengfei
中科院分区：
文献类型：
--
作者：
Taylor, Michael A.;Mandal, Arkajit;Zhou, Wanghuai;Huo, Pengfei
通过解决电子态截断下库仑规范和偶极规范哈密顿量之间的规范歧义，为分子腔量子电动力学提供了基本的理论框架。我们推测，这种模糊性的产生是因为并非所有的算子都一致地约束在相同的截断电子子空间中。我们通过构造一个适当约束同一子空间中所有光物质相互作用项的酉变换算子来解决这种模糊性。我们进一步推导出截断子空间下库仑规范哈密顿量的一个等价且方便的表达式。最后，我们给出了一个耦合于腔体的分子系统模型的解析和数值结果来证明我们理论的有效性。
This work provides the fundamental theoretical framework for molecular cavity quantum electrodynamics by resolving the gauge ambiguities between the Coulomb gauge and the dipole gauge Hamiltonians under the electronic state truncation. We conjecture that such ambiguity arises because not all operators are consistently constrained in the same truncated electronic subspace for both gauges. We resolve this ambiguity by constructing a unitary transformation operator that properly constrains all light-matter interaction terms in the same subspace. We further derive an equivalent and yet convenient expression for the Coulomb gauge Hamiltonian under the truncated subspace. We finally provide the analytical and numerical results of a model molecular system coupled to the cavity to demonstrate the validity of our theory.