Published January 2014 | Version v1
Journal article

Electron scattering cross section calculations for polar molecules over a broad energy range

  • 1. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid (Spain)
  • 2. Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Ciudad Universitaria, 28040 Madrid (Spain)
  • 3. Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom)
  • 4. Department of Chemistry, "Sapienza" University of Rome, P.le A. Moro 5, 00185 Rome (Italy)
  • 5. Centre for Medical Radiation Physics, University of Wollongong, NSW 2522 (Australia)

Description

We report computational integral and differential cross sections for electron scattering by two different polar molecules, HCN and pyrimidine, over a broad energy range. We employ, for low energies, either the single-centre expansion (ePOLYSCAT) or the R-matrix method, while for the higher energies we select a corrected form of the independent-atom representation (IAM-SCAR). We provide complete sets of integral electron scattering cross sections from low energies up to 10,000 eV. Our present calculated data agree well with prior experimental results. - Highlights: ► Integral and differential cross sections have been calculated for HCN and pyrimidine. ► ePOLYSCAT and R-matrix were joined together with IAM-SCAR at intermediate energies. ► Complete sets of integral cross sections are provided over a broad energy range. ► The Dickinson correction is confirmed to improve the large angles differential cross sections for strong polar molecules

Availability note (English)

Available from http://dx.doi.org/10.1016/j.apradiso.2013.01.031

Additional details

Identifiers

DOI
10.1016/j.apradiso.2013.01.031;
PII
S0969-8043(13)00040-7;

Publishing Information

Journal Title
Applied Radiation and Isotopes
Journal Volume
83
Journal Issue
Part B
Journal Page Range
p. 57-67
ISSN
0969-8043
CODEN
ARISEF

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
46032354
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; DIFFERENTIAL CROSS SECTIONS; DIPOLES; EXCITATION; INTEGRAL CROSS SECTIONS; MOLECULES; R MATRIX; SCATTERING
Descriptors DEC
CROSS SECTIONS; ENERGY-LEVEL TRANSITIONS; MATRICES; MULTIPOLES

Optional Information

Copyright
Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.