Relativistic corrections to vibrational states of beyond the Born-Oppenheimer approximation
Phys. Rev. A 112, 042809 – Published 8 October, 2025
DOI: https://doi.org/10.1103/6k4y-vljq
Abstract
We present the ab initio calculation of leading-order relativistic corrections to the pure vibrational energies of the muonium-muonium molecule (), an exotic four-lepton system composed of two positive muons and two electrons. These corrections are evaluated perturbatively using variational wave functions constructed from an explicitly correlated Gaussian basis, within a fully non-Born-Oppenheimer framework. We accurately determine the rotationless vibrational spectrum, dissociation energy, and key spectroscopic constants, including the harmonic constant and the anharmonicity constant . Furthermore, we present a range of expectation values for various structural quantities that provide insight into the intrinsic properties of this system. Our results represent a meaningful step toward a more accurate theoretical description of .