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Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory

Published 30 Sep 2019 in physics.chem-ph and physics.atom-ph | (1909.13826v1)

Abstract: We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation, obtained within nonadiabatic perturbation theory, including the mixed nonadiabatic-relativistic effects. Quantum electrodynamic corrections in the leading $\alpha5\,m$ and the next-to-leading $\alpha6\,m$ orders, as well as finite nuclear size effect, are also taken into account but within the Born-Oppenheimer approximation only. Final results for the transition wavelength between rovibrational levels achieve accuracy of the order of $10{-3}$--$10{-7}$ cm${-1}$, and are provided by simple to use computer code.

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