Continuum states for hydrogen molecule: A study of convergence in e−–H2+ scattering equations
- 15 April 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (8), 3595-3599
- https://doi.org/10.1063/1.436217
Abstract
We study the scattering of electrons from singly ionized molecular hydrogen in order to obtain converged wavefunctions for the continuum states of molecular hydrogen. In view of the sensitivity of photoionization process to the details of the continuum wavefunction, we have investigated the accuracy of the various approximations that are used to deal with all the principal interactions. This has been done through the solution of a set of coupled integrodifferential equations which result from the analysis of e−–H2+ scattering in the close‐coupling approximation. Finally, we give converged phase shifts for the continuum state wavefunction.Keywords
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