抄録
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 etc., where an electron propagates with a kinetic energy of hundreds of eV in a cluster of hundreds of atoms.
本文言語 | 英語 |
---|---|
ページ(範囲) | 5658-5668 |
ページ数 | 11 |
ジャーナル | Physical Chemistry Chemical Physics |
巻 | 24 |
号 | 9 |
DOI | |
出版ステータス | 出版済み - 2022/03/07 |
ASJC Scopus 主題領域
- 物理学および天文学一般
- 物理化学および理論化学