Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics.
Phys Rev Lett
; 125(12): 123602, 2020 Sep 18.
Article
en En
| MEDLINE
| ID: mdl-33016745
ABSTRACT
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.
Texto completo:
1
Bases de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2020
Tipo del documento:
Article
País de afiliación:
Estados Unidos