CaltechAUTHORS
  A Caltech Library Service

Discrete-basis-set method for electron-molecule continuum wave functions

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

[img]
Preview
PDF
See Usage Policy.

1098Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:FLIpra78b

Abstract

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.


Item Type:Article
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.
Record Number:CaltechAUTHORS:FLIpra78b
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:FLIpra78b
Alternative URL:http://dx.doi.org/10.1103/PhysRevA.18.2107
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5420
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:17 Oct 2006
Last Modified:26 Dec 2012 09:05

Repository Staff Only: item control page