https://doi.org/10.1140/epjd/e2016-70178-5
Regular Article
Local orbitals in electron scattering calculations*
A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, USA
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Received: 8 March 2016
Received in final form: 13 April 2016
Published online: 24 May 2016
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.
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.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2016
