Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    On the possibility of using differential cross section measurements for the electronic excitation of adsorbates by an electron beam, to determine the adsorbate orientation (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 6153-6162 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We show, by detailed electron–molecule scattering calculations, that the angular dependence of electron energy loss spectra in which an adsorbate is electronically excited can be used to identify the orientation of the molecule with respect to the surface and the nature of the final states. The calculations are exploratory and were carried out for an H2 molecule. The transition amplitude for electron–molecule scattering is calculated by using the Schwinger variational principle with two open channels. The effects of the surface were introduced through a semiquantitative model which treats the surface as a partly reflecting, flat mirror.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451482
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Electronic excitation of CH4 by low-energy electron impact (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 2132-2137 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report cross sections for excitation of the (1t2→3sa1) singlet and triplet states of methane by low-energy electron impact. The cross sections for these dissociative states were obtained using the Schwinger multichannel variational method with up to seven channels (three physical states) coupled. Aspects of the convergence with respect to channel coupling are discussed. A preliminary comparison with the recently measured CH2 fragment production cross section [T. Nakano, H. Toyoda, and H. Sugai, Jpn. J. Appl. Phys. 30, 2912 (1991)] shows fair agreement.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464191
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Low-energy electron-impact excitation of the a˜ 3B1u(π→π*) state of ethylene (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 3531-3535 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A two-state close-coupling calculation of electron-impact excitation of ethylene to the a˜ 3B1u state (π→π*) is carried out using a version of the Schwinger multichannel method developed for distributed-memory parallel computers. The calculated integral cross section shows a sharp rise at threshold, in agreement with available experimental data. The integral and differential cross sections are useful in understanding the mechanism of this excitation process and indicate the possible presence of a core-excited shape resonance near threshold.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461907
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Studies of electron-molecule collisions: Applications to e-H2O (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 1854-1858 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120°. The implication of this feature for the determination of momentum transfer cross sections is described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451187
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Low-energy electron scattering by methane, arsine and phosphine (1992)
    Springer
    The European physical journal 24 (1992), S. 141-147 
    Details
    ISSN: 1434-6079
    Keywords: 34.80.Bm ; 34.80.Gs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We present cross sections for the elastic scattering of low-energy electrons by phosphine (PH3) and arsine (AsH3), and for electron-impact excitation of the (1t 2 → 3sa 1)3 T 2 and1 T 2 states in methane (CH4). These results were calculated using the Schwinger multichannel method as implemented on distributed-memory parallel computers. The PH3 and AsH3 cross sections show a pronounced low-energy shape resonance which may provide a pathway to dissociative attachment. The1,3 T 2 cross sections for CH4 correlate fairly well with recent measurements of CH2 production via electron-impact dissociation of methane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426698
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Note on the generation of Gaussian bases for pseudopotential calculations (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 821-824 
    Details
    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: We present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential. © 1996 John Wiley & Sons, Inc.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...