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arXiv 2111.08058physics.chem-ph
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电子附着的运动方程腔量子电动力学耦合团簇理论

Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment

Marcus D. Liebenthal, Nam Vu, A. Eugene DePrince

摘要:

在腔量子电动力学(QED)框架下,将电子附着变体的运动方程耦合团簇理论(EOM-EA-CC)推广到强光-物质耦合的情形。由此产生的EOM-EA-QED-CC形式主义提供了一个从头算,相关的,和非微扰描述的腔诱导效应在多电子系统,补充其他最近提出的腔QED耦合集群理论的扩展。重要的是,这项工作表明,EOM-CC理论的QED推广是有用的框架,探索粒子非保守部门的福克空间,从而建立了一条道路前进的同时描述强电子-电子和电子-光子相关效应。

英文摘要:

The electron attachment variant of equation-of-motion coupled-cluster theory (EOM-EA-CC) is generalized to the case of strong light-matter coupling within the framework of cavity quantum electrodynamics (QED). The resulting EOM-EA-QED-CC formalism provides an ab initio, correlated, and non-perturbative description of cavity-induced effects in many-electron systems that complements other recently proposed cavity-QED-based extensions of coupled-cluster theory. Importantly, this work demonstrates that QED generalizations of EOM-CC theory are useful frameworks for exploring particle non-conserving sectors of Fock space, thereby establishing a path forward for the simultaneous description of both strong electron-electron and electron-photon correlation effects.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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