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QED correction for H$_3^+$

Published 20 Feb 2014 in physics.chem-ph and astro-ph.SR | (1402.5093v1)

Abstract: A quantum electrodynamics (QED) correction surface for the simplest polyatomic and polyelectronic system H$_3+$ is computed using an approximate procedure. This surface is used to calculate the shifts to vibration-rotation energy levels due to QED; such shifts have a magnitude of up to 0.25 cm${-1}$ for vibrational levels up to 15~000 cm${-1}$ and are expected to have an accuracy of about 0.02 cm${-1}$. Combining the new H$_3+$ QED correction surface with existing highly accurate Born-Oppenheimer (BO), relativistic and adiabatic components suggests that deviations of the resulting {\it ab initio} energy levels from observed ones are largely due to non-adiabatic effects.

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