Hyomen Kagaku
Online ISSN : 1881-4743
Print ISSN : 0388-5321
ISSN-L : 0388-5321
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Theoretical Study on Non-local Optical Potential Applied to XPD
Hiroko ARAIKeisuke HATADATakashi FUJIKAWALars HEDIN
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2001 Volume 22 Issue 8 Pages 478-482

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Abstract
In accurate analyses of XPD spectra, the atomic potential at each site plays an important role. Hermitian potential like Hartree-Fock potential cannot describe the damping of the photoelectron wave, so that it is crucial to go beyond one-electron theory for the XPD analyses. Our optical potential is energy dependent, non-local and self-consistent based on Hedin's GW approximation. Here we apply this optical potential to the N 1s XPD spectra of N2 adsorbed on metals, and compare the results by use of different approximations.
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この記事はクリエイティブ・コモンズ [表示 - 非営利 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by-nc/4.0/deed.ja
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