Published February 2016 | Version v1
Journal article

Screening corrections for the interference contributions to the electron and positron scattering cross sections from polyatomic molecules

  • 1. Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Ciudad Universitaria, 28040 Madrid (Spain)
  • 2. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid (Spain)

Description

Highlights: • Interference terms for calculating molecular cross sections play an important role at low energies. • Interference terms have here been applied to the Screening Corrected Additivity Rule (SCAR+I). • SCAR+I results have been compared to an "exact" multicentre scattering calculation. • Integral and differential cross sections show improvement across the entire energy range. • SCAR+I eliminates inconsistencies between differential and integral cross sections values. An improvement of the screening-corrected Additivity Rule (SCAR) is proposed for calculating electron and positron scattering cross sections from polyatomic molecules within the independent atom model (IAM), following the analysis of numerical solutions to the three-dimensional Lippmann–Schwinger equation for multicenter potentials. Interference contributions affect all the considered energy range (1–300 eV); the lower energies where the atomic screening is most effective and higher energies, where interatomic distances are large compared to total cross sections and electron wavelengths. This correction to the interference terms provides a significant improvement for both total and differential elastic cross sections at these energies.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2015.11.056

Additional details

Identifiers

DOI
10.1016/j.cplett.2015.11.056;
PII
S0009261415009276;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
645
Journal Page Range
p. 71-75
ISSN
0009-2614
CODEN
CHPLBC

Optional Information

Copyright
Copyright (c) 2015 Elsevier B.V. All rights reserved.