QED correction forH3+

Lorenzo Lodi, Oleg L. Polyansky, Jonathan Tennyson, Alexander Alijah, Nikolai F. Zobov
2014 Physical Review A. Atomic, Molecular, and Optical Physics  
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),
more » ... ativistic and adiabatic components suggests that deviations of the resulting ab initio energy levels from observed ones are largely due to non-adiabatic effects.
doi:10.1103/physreva.89.032505 fatcat:6yqk2ydixfcm7htccwc6jcfkju