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    Relativistic corrections to vibrational states of Mu2 beyond the Born-Oppenheimer approximation

    K. Hu1, D.-X. Zhao2,3, K.-D. Wang1,*, L.-M. Wang1, M.-S. Wu4,†, J.-Y. Zhang2,‡, Z.-C. Yan2,5, and K. Varga6

    • *Contact author: wangkd@htu.edu.cn
    • †Contact author: mswu@hainanu.edu.cn
    • ‡Contact author: jzhang@apm.ac.cn

    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 (Mu2), an exotic four-lepton system composed of two positive muons μ+ 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 ωe=13322.11cm−1 and the anharmonicity constant ωexe=1097.37cm−1. 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 Mu2.

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