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SCF treatment of charge polarization effects in intermediate-energy electron scattering calculations with applications to N2Converged rotational close coupling calculations of differential, integral, and momentum-transfer cross sections are obtained for seven model potentials for electron-N2 scattering at an impact energy of 30 eV. The model potentials involve a static potential calculated by the INDO/1s or INDOXI/1s method, and exchange potential calculated by the semiclassical exchange approximation from the INDO/1s or INDOXI/1s unperturbed electron density and a polarization potential. The polarization potentials used include the Buckley-Burke semiempirical one and various modifications of the INDOXI and INDO SCF (self-consistent-field) adiabatic polarization potentials. Without adjustment of parameters, good agreement is obtained with the angle dependence of the experimentally measured sum of the elastic and rotational excitation differential cross sections; however, the absolute value of the calculated cross sections is about 20-30% larger than the measured values in the best case, perhaps indicating that the model potentials are too strong or should have a nonzero imaginary part.
Document ID
19790043836
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Onda, K.
(California Institute of Technology, Jet Propulsion Laboratory, Pasadena, Calif.; Minnesota, University Minneapolis, Minn., United States)
Truhlar, D. G.
(Minnesota, University Minneapolis, Minn., United States)
Date Acquired
August 9, 2013
Publication Date
February 15, 1979
Publication Information
Publication: Journal of Chemical Physics
Volume: 70
Subject Category
Atomic And Molecular Physics
Accession Number
79A27849
Distribution Limits
Public
Copyright
Other

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