Published May 2016
| public
Journal Article
Local orbitals in electron scattering calculations
- Creators
- Winstead, Carl L.
- McKoy, Vincent
Chicago
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Abstract
We examine the use of local orbitals to improve the scaling of calculations that incorporate target polarization in a description of low-energy electron-molecule scattering. After discussing the improved scaling that results, we consider the results of a test calculation that treats scattering from a two-molecule system using both local and delocalized orbitals. Initial results are promising.
Additional Information
© 2016 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg. Received: 08 March 2016; Revised: 13 April 2016; First online: 24 May 2016. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic. This work was supported by the Chemical Sciences, Geosciences and Biosciences Divsion, Office of Basic Energy Sciences, Office of Science, US Department of Energy under Grant DE-FG02-97ER14814 and made use of the Jet Propulsion Laboratory's Supercomputing and Visualization Facility.Additional details
- Eprint ID
- 67471
- DOI
- 10.1140/epjd/e2016-70178-5
- Resolver ID
- CaltechAUTHORS:20160531-080948497
- Department of Energy (DOE)
- DE-FG02-97ER14814
- Created
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2016-05-31Created from EPrint's datestamp field
- Updated
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2021-11-11Created from EPrint's last_modified field