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  • 1995-1999  (2)
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 657-665 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ground-state electronic structure of heliumlike systems can be described by several simple wave functions expressed in terms of the three distances between particles (one nucleus and two electrons). The dependence of (e, 2e) ionization cross sections on the description of radial and angular correlations between target electrons is analyzed. The cases of plane wave and Coulomb wave representations of ejected electron trajectories are examined together with the feasibility of analytic calculations. The relative sensitivity of (e, 2e) cross sections to the description of correlations between K-shell electrons is also investigated as a function of nuclear charge. Existing experimental data on helium are used to support a comparison with calculated (e, 2e) cross sections. © 1996 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 53 (1995), S. 569-574 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Compton energy loss spectra of atomic targets exhibits usually a specific asymmetry due to the postcollisional electrostatic interaction between the remaining ion and the ejected electron. This asymmetry, or Compton defect, also exists in the scattering by molecules or solids. The first attempt to describe the Compton defect for the hydrogen molecule is proposed here. The Compton energy loss spectra depends particularly on the relative orientation of the momentum transferred by the incident particle and the molecular axis. A comparison between the respective magnitudes of Compton profiles and Compton defects was one of the aims of this article. The results emphasize the particular interest of a simultaneous interpretation of both symmetrical and antisymmetrical contributions in the study of molecular or solid-state electronic structures. © 1995 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
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