Valence-orbital-electron momentum distributions for butanone

Abstract

We report here the measurements of the complete valence shell binding energy spectra and the valence-orbital momentum profiles of butanone using the binary $(e,2e)$ electron momentum spectroscopy. The impact energy was $1200\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ plus the binding energy and the symmetric noncoplanar kinematics was used. The experimental momentum profiles of the valence orbitals are compared with the theoretical momentum distributions calculated using Hartree-Fock and density functional theory methods with various basis sets. The experimental measurements are generally described by theoretical calculations except for summed $4{a}^{\ensuremath{''}}$, $15{a}^{\ensuremath{'}}$, $3{a}^{\ensuremath{''}}$, and $14{a}^{\ensuremath{'}}$ orbital and summed $8{a}^{\ensuremath{'}}$, $7{a}^{\ensuremath{'}}$, and $6{a}^{\ensuremath{'}}$ orbitals.