Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment.
J Chem Phys
; 156(5): 054105, 2022 Feb 07.
Article
in En
| MEDLINE
| ID: mdl-35135288
ABSTRACT
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 CC 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.
Full text:
1
Database:
MEDLINE
Language:
En
Year:
2022
Type:
Article