Rovibrational computations for the He a state including non-adiabatic, relativistic, and QED corrections
arXiv:2506.19116 · doi:10.1021/acs.jctc.5c01855
Abstract
A potential energy curve (PEC) accurate to a fraction of 1 ppm () is computed for the state of He endowed with relativistic and QED corrections. The nuclear Schrödinger equation is solved on this PEC with diagonal Born-Oppenheimer and non-adiabatic mass corrections to obtain highly accurate rotational-vibrational levels. The computed rovibrational intervals and fine-structure splittings, spanning over several orders of magnitude in energy, are found to be in remarkable agreement with available high-resolution spectroscopy data.