Electron scattering in HCl: An improved nonlocal resonance model
- Fedor, Juraj Department of Chemistry, University of Fribourg, Switzerland - J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic
- Winstead, C. A.A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, USA
- McKoy, V. A.A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, USA
- Čížek, M. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic
- Houfek, K. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic
- Kolorenč, P. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic
- Horáček, J. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic
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05.04.2010
Published in:
- Physcial Review A. - 2010, vol. 31, no. 4, p. 042702
English
We present an improved nonlocal resonance model for electron-HCl collisions. The short-range part of the model is fitted to ab initio electron-scattering eigenphase sums calculated using the Schwinger multichannel method, while the long-range part is based on the ab initio potential-energy curve of the bound anion HCl-. This model significantly improves the agreement of nonlocal resonance calculations with recent absolute experimental data on dissociative electron attachment cross sections for HCl and DCl. It also partly resolves an inconsistency in the temperature effect in dissociative electron attachment to HCl present in the literature. Finally, the present model reproduces all qualitative structures observed previously in elastic scattering and vibrational-excitation cross sections.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Chimie
- Language
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- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
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- RERO DOC 18137
- DOI 10.1103/PhysRevA.81.042702
- Persistent URL
- https://folia.unifr.ch/unifr/documents/301518
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