Valence-orbital-electron momentum distributions for butanone
- Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 (China)
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 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 4a{sup ''}, 15a{sup '}, 3a{sup ''}, and 14a{sup '} orbital and summed 8a{sup '}, 7a{sup '}, and 6a{sup '} orbitals.
- OSTI ID:
- 20786315
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 6 Vol. 72; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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