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arxiv: 1402.5093 · v1 · pith:UIH6JVPSnew · submitted 2014-02-20 · ⚛️ physics.chem-ph · astro-ph.SR

QED correction for H₃^+

classification ⚛️ physics.chem-ph astro-ph.SR
keywords correctionlevelssurfaceenergyshiftsaccuracyaccurateadiabatic
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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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