Electron momentum spectroscopy of the outervalence 3σ and 1π states of hydrogen fluoride: a reanalysis

We have highlighted and examined in detail a discrepancy that exists between the results of various single-channel and multiparameter electron momentum spectroscopy (EMS) studies into the outervalence states of hydrogen fluoride (HF). We have attempted to elucidate the nature of this problem and the disagreement that exists between the best available theoretical momentum distributions (MDs), as calculated in the plane-wave impulse approximation with wavefunctions at the near-Hartree-Fock limit, and the most accurate experimental MDs. To do this, we have adapted a method, originally applied to extract atomic orbital information from Compton profiles, to our 3σ and 1π experimental MDs. In addition we have also applied this technique to the 2s and 2p orbitals of neon, which is isoelectronic with HF, with the ramifications of the results of this investigation to HF also being outlined.