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Electron scattering in HCl: An improved nonlocal resonance model

Fedor, J. and Winstead, C. and McKoy, V. and Čížek, M. and Houfek, K. and Kolorenč, P. and Horáček, J. (2010) Electron scattering in HCl: An improved nonlocal resonance model. Physical Review A, 81 (4). Art. No. 042702. ISSN 1050-2947. https://resolver.caltech.edu/CaltechAUTHORS:20100525-153632668

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Abstract

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.


Item Type:Article
Related URLs:
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http://dx.doi.org/10.1103/PhysRevA.81.042702DOIUNSPECIFIED
http://link.aps.org/doi/10.1103/PhysRevA.81.042702PublisherUNSPECIFIED
Additional Information:© 2010 The American Physical Society. Received 11 January 2010; published 5 April 2010. We thank M. Allan, Fribourg, for fruitful discussions and valuable comments. This work has been supported by the Swiss National Science Foundation (Contract No. 200020- 113599/1), COST Action CM0601, COST Action OC09079, Grant No. GACR 202/07/0833 of the Czech Science Foundation, and Z´amˇer MˇSMT No. MSM0021620860. The work of V.M. and C.W. was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy, and made use of the Jet Propulsion Laboratory’s Supercomputing and Visualization Facility.
Funders:
Funding AgencyGrant Number
Swiss National Science Foundation200020-113599/1
Swiss National Science FoundationCM0601
Swiss National Science FoundationOC09079
Czech Science FoundationGACR 202/07/0833
Záměr MŠMTMSM0021620860
US Department of EnergyUNSPECIFIED
Issue or Number:4
Classification Code:PACS: 34.80.Ht, 34.80.Gs
Record Number:CaltechAUTHORS:20100525-153632668
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20100525-153632668
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:18439
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:26 May 2010 20:50
Last Modified:03 Oct 2019 01:42

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