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Title: 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 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.

Authors:
; ; ; ;  [1]
  1. Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 (China)
Publication Date:
OSTI Identifier:
20786315
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 72; Journal Issue: 6; Other Information: DOI: 10.1103/PhysRevA.72.062716; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; BINDING ENERGY; DENSITY FUNCTIONAL METHOD; DISTRIBUTION; ELECTRON SPECTRA; ELECTRON SPECTROSCOPY; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; EV RANGE; HARTREE-FOCK METHOD; ORGANIC COMPOUNDS; VALENCE

Citation Formats

Li, G. Q., Deng, J. K., Li, B., Ren, X. G., and Ning, C. G.. Valence-orbital-electron momentum distributions for butanone. United States: N. p., 2005. Web. doi:10.1103/PHYSREVA.72.0.
Li, G. Q., Deng, J. K., Li, B., Ren, X. G., & Ning, C. G.. Valence-orbital-electron momentum distributions for butanone. United States. doi:10.1103/PHYSREVA.72.0.
Li, G. Q., Deng, J. K., Li, B., Ren, X. G., and Ning, C. G.. Thu . "Valence-orbital-electron momentum distributions for butanone". United States. doi:10.1103/PHYSREVA.72.0.
@article{osti_20786315,
title = {Valence-orbital-electron momentum distributions for butanone},
author = {Li, G. Q. and Deng, J. K. and Li, B. and Ren, X. G. and Ning, C. G.},
abstractNote = {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.},
doi = {10.1103/PHYSREVA.72.0},
journal = {Physical Review. A},
number = 6,
volume = 72,
place = {United States},
year = {Thu Dec 15 00:00:00 EST 2005},
month = {Thu Dec 15 00:00:00 EST 2005}
}