1. Simple renormalization schemes for multiple scattering series expansions
- Author
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Aika Takatsu, Sylvain Tricot, Philippe Schieffer, Kevin Dunseath, Mariko Terao-Dunseath, Keisuke Hatada, Didier Sébilleau, University of Toyama, Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Grant No. 18K05027, Japan Society for the Promotion of Science, and Grant No. JPMJCR1861, Core Research for Evolutional Science and Technology
- Subjects
[PHYS]Physics [physics] ,[PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph] ,General Physics and Astronomy ,[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] ,Physical and Theoretical Chemistry ,Quantum dynamics ,[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat] ,Computer Science::Databases ,Spectroscopy - Abstract
International audience; A number of renormalization schemes for improving the convergence of multiple scattering series expansions are investigated. Numerical tests on a small Cu(111) cluster demonstrate their effectiveness, for example increasing the rate of convergence by up to a factor 2 or by transforming a divergent series into a convergent one. These techniques can greatly facilitate multiple scattering calculations, especially for spectroscopies such as photoelectron diffraction, Auger electron diffraction, low energy electron diffraction , where an electron propagates with a kinetic energy of hundreds of eV in a cluster of hundreds of atoms.
- Published
- 2022
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