Photon-mediated energy transfer between molecules and atoms in a cavity: A numerical study.

This article focuses on the simulation of energy transfer dynamics in a hybrid system composed of a two-level atom (TLA) and a lithium fluoride (LiF) molecule inside an optical cavity. The study demonstrates that the TLA, coupled to the cavity photon but not directly interacting with LiF, can act as an energy reservoir by inducing a deep potential well resembling the LiF molecule's potential energy surface, enabling coherent transfer of molecular nuclear kinetic energy to the TLA regardless of their spatial separation. The efficiency of this cavity-mediated energy transfer increases with the nuclear kinetic energy of the molecule and the strength of light–matter coupling. These findings suggest that introducing TLAs into cavities offers a novel approach to manipulate molecular reaction processes, with potential experimental realization contingent on cavity photon lifetimes exceeding approximately 92 femtoseconds.