Momentum distributions and ionization potentials for the valence orbitals of hydrogen fluoride and hydrogen chloride

Abstract

The binding-energy spectra and momentum distributions for the valence orbitais of HF and HCI have been obtained at 1200 and 400 eV using (e, 2e) spectroscopy with symmetric kinematics For HC1, the strength of the innermost valence-orbital (4cr) is found to be significantly split among several ion~states in the range 20ú41 eV The corresponding orbital (2G) in HF is, however, not significantly split among ion states The measured momentum-distributions are compared with the results of several calculations of at least double-zeta quality, as well as with a one-particle Greenæs function calculation of the generalized overlap amplitude (GOA) Agreement in shape is quite good for the innermost orbitais, but for the ii and outer a orbitais of HF, the momentum distributions calculated directly from the molecular orbitais are significantly more extended in momen- tum space than are the measured distributions The Greenæs function calculations give momentum distributions in reasonable agreement with the data, and pole-strengths for transitions which are in qualitative agreement with the observed cross-sections. Show more