Open AccessAccuracy of XAS theory for unraveling structural changes of adsorbates: CO on Ni(100)
Author(s) -
Elias Diesen,
Gabriel L. S. Rodrigues,
A. C. Luntz,
Frank AbildPedersen,
Lars G. M. Pettersson,
Johannes Voss
Publication year - 2020
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/5.0028002
Subject(s) - density functional theory , binding energy , spectral line , molecular physics , chemistry , absorption (acoustics) , atomic physics , local density approximation , absorption spectroscopy , x ray absorption spectroscopy , adsorption , materials science , physics , computational chemistry , optics , quantum mechanics
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