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Variationally corrected discrete-basis-set calculation for electron-molecule scattering in the static-exchange approximation

Fliflet, Arne W. and McKoy, Vincent (1978) Variationally corrected discrete-basis-set calculation for electron-molecule scattering in the static-exchange approximation. Physical Review A, 18 (3). pp. 1048-1054. ISSN 0556-2791. https://resolver.caltech.edu/CaltechAUTHORS:FLIpra78c

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Abstract

We present a method for including a variational correction in the discrete-basis-set method for electron-molecule scattering introduced by Rescigno, McCurdy, and McKoy. Our prescription for variationally corrected partial-wave K-matrix elements is based on Kohn's formula for the variationally stable scattering amplitude in three dimensions. The method is applied to e--H2 scattering in the static-exchange approximation, and the effect of choosing different trial basis sets is shown. Our results are in good agreement with the results of other accurate calculations.


Item Type:Article
Additional Information:©1978 The American Physical Society. Received 26 July 1977. We thank D.A. Levin and M. Ma for helpful discussions. We thank Professor W.A. Goddard III, Professor H.P. Kelly, Dr. R.L. Chase, and G.R. Daum for the use of their computer programs in this calculation. This work was supported by a grant from the National Science Foundation.
Issue or Number:3
Record Number:CaltechAUTHORS:FLIpra78c
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:FLIpra78c
Alternative URL:http://dx.doi.org/10.1103/PhysRevA.18.1048
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:6975
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:04 Jan 2007
Last Modified:02 Oct 2019 23:37

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