Electron scattering cross section calculations for polar molecules over a broad energy range
Creators
- 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.2013.01.031Additional 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.