Intermolecular interactions in optical cavities: An <i>ab initio</i> QED study

Intermolecular bonds are weak compared to covalent bonds, but they strong enough influence the properties of large molecular systems. In this work, we investigate how light-matter coupling inside an optical cavity can modify these intermolecular forces. We perform a detailed comparison between currently available ab initio electron-photon methodologies. The electromagnetic field modulate ground state weakly bound complexes. Controlling polarization, interactions be stabilized or destabilized, and electron densities, dipole moments, polarizabilities altered. demonstrate that correlation is fundamental describe in coupling. This work proposes cavities as novel tool manipulate control properties, solvent effects, for molecules materials.