Ultrastrong coupling limit to quantum mean force Gibbs state for anharmonic environment (2405.03044v2)

Abstract: The equilibrium state of a quantum system can deviate from the Gibbs state if the system-environment (SE) coupling is not weak. An analytical expression for this mean force Gibbs state (MFGS) is known in the ultrastrong coupling (USC) regime for the Caldeira-Leggett (CL) model that assumes a harmonic environment. Here, we derive analytical expressions for the MFGS in the USC regime for more general SE models. For all the generalized models considered here, we find the USC state to be diagonal in the basis set by the SE interaction, just like in the CL case. While for the generic model considered, the corresponding USC-MFGS is found to alter from the CL-result, we do identify a class of models more general than the CL model for which the CL-USC result remains unchanged. We also provide numerical verification for our results. These results provide key tools for the study of strong coupling quantum thermodynamics and several quantum chemistry and biology problems under more realistic SE models, going beyond the CL model.