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Simple renormalization schemes for multiple scattering series expansions

Abstract : 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.
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Contributor : Kevin Dunseath Connect in order to contact the contributor
Submitted on : Wednesday, March 2, 2022 - 5:26:09 PM
Last modification on : Friday, April 22, 2022 - 4:19:21 PM



Aika Takatsu, Sylvain Tricot, Philippe Schieffer, Kevin Dunseath, Mariko Terao-Dunseath, et al.. Simple renormalization schemes for multiple scattering series expansions. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2022, 24 (9), pp.5658-5668. ⟨10.1039/D1CP05530E⟩. ⟨hal-03594619⟩



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