Quantum-defect analysis of $np$ and $nd$ $\rm{H_3}$ Rydberg energy levels

Abstract

In this work, Rydberg energy levels of the triatomic hydrogen molecule ($\rm{H_3}$) are studied with multichannel quantum-defect theory. We extract the body-frame p-wave quantum defects from highly accurate \emph{ab initio} electronic potential surfaces and calculate the quantum defects of higher momentum states by using the long-range multipole potential model. To obtain laboratory-frame quantum defects, we perform a rovibrational-frame transformation with accurate rovibrational states of $\rm{H_3^+}$. Finally, we use the laboratory-frame quantum defects to calculate Rydberg energy levels for the fundamental neutral triatomic molecule $\rm{H_3}$.