Quantum-defect analysis of npnpnp and ndndnd H3\rm{H_3}H3​ Rydberg energy levels (original) (raw)

In this work, Rydberg energy levels of the triatomic hydrogen molecule (H3) are studied with multichannel quantum-defect theory. We extract the body-frame p-wave quantum defects from highly accurate ab initio electronic potential surfaces and calculate the quantum defects of higher angular momentum states in a long-range multipole potential model. Laboratory-frame quantum defect matrices emerge from a rovibrational-frame transformation carried out with accurate rovibrational states of H + 3 . Finally, we use the laboratory-frame quantum defects to calculate Rydberg energy levels for the fundamental neutral triatomic molecule H3.