Fliflet, Arne W. and McKoy, Vincent (1978) Discrete-basis-set method for electron-molecule continuum wave functions. Physical Review A, 18 (5). pp. 2107-2114. ISSN 1050-2947. http://resolver.caltech.edu/CaltechAUTHORS:FLIpra78b
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We present a method for calculating the continuum wave function in electron-molecule scattering for an N×N discrete-basis-set representation of the potential. The method is based on the T-matrix method introduced by Rescigno, McCurdy, and McKoy. In this work, the wave function is used in a prescription for the variationally corrected partial-wave K matrix analogous to Kohn's variational formula for the scattering amplitude in three dimensions. Results presented for e--H2 scattering in the static-exchange approximation are in good agreement with other accurate calculations.
|Additional Information:||©1978 The American Physical Society. Received 20 March 1978. This research was supported by Grant No. CHE76-05167 from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 5754.|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||17 Oct 2006|
|Last Modified:||26 Dec 2012 09:05|
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