Electron scattering by closed shell diatomic molecules

Published: 1 January 1970| Version 1 | DOI: 10.17632/596fpn55vy.1
Contributor:
A.L. Sinfailam

Description

Title of program: ELECTRON-MOLECULE SCATTERING Catalogue Id: ACQO_v1_0 Nature of problem A general computer code for studying the low energy electron scattering by closed shell diatomic molecule is presented. It is assumed that the molecule is constrained in its electronic state and does not vibrate or rotate during the collision. The K-matrix elements, the eigenphases and the elastic cross section are evaluted. Versions of this program held in the CPC repository in Mendeley Data ACQO_v1_0; ELECTRON-MOLECULE SCATTERING; 10.1016/0010-4655(70)90019-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Physical Chemistry, Molecular Physics, Computational Physics

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