Electron scattering in HCl: An improved nonlocal resonance model

Fedor, Juraj; Winstead, C.; McKoy, V.; Čížek, M.; Houfek, K.; Kolorenč, P.; Horáček, J.

doi:10.1103/PhysRevA.81.042702

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Journal article

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

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

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