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Inclusion of exact exchange in the noniterative partial-differential-equation method of electron-molecule scattering - Application to e-N2The noniterative partial-differential-equation (PDE) approach to electron-molecule scattering of Onda and Temkin (1983) is modified to account for the effects of exchange explicitly. The exchange equation is reduced to a set of inhomogeneous equations containing no integral terms and solved noniteratively in a difference form; a method for propagating the solution to large values of r is described; the changes in the polarization potential of the original PDE method required by the inclusion of exact static exchange are indicated; and the results of computations for e-N2 scattering in the fixed-nuclei approximation are presented in tables and graphs and compared with previous calculations and experimental data. Better agreement is obtained using the modified PDE method.
Document ID
19850054101
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Weatherford, C. A.
(NASA Goddard Space Flight Center Laboratory for Astronomy and Solar Physics, Atomic Physics Office, Greenbelt, MD; Florida A & M Univ, United States)
Onda, K.
(NASA Goddard Space Flight Center Laboratory for Astronomy and Solar Physics, Greenbelt, MD; Tokyo, University, Institute of Space and, Japan)
Temkin, A.
(NASA Goddard Space Flight Center Laboratory for Astronomy and Solar Physics, Greenbelt, MD, United States)
Date Acquired
August 12, 2013
Publication Date
June 1, 1985
Publication Information
Publication: Physical Review A - General Physics, 3rd Series
Volume: 31
ISSN: 0556-2791
Subject Category
Atomic And Molecular Physics
Accession Number
85A36252
Distribution Limits
Public
Copyright
Other

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