Open AccessSimulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches
Author(s) -
Gabriel L. S. Rodrigues,
Elias Diesen,
Johannes Voss,
Patrick Norman,
Lars G. M. Pettersson
Publication year - 2022
Publication title -
structural dynamics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.415
H-Index - 29
ISSN - 2329-7778
DOI - 10.1063/4.0000135
Subject(s) - density functional theory , chemistry , x ray absorption spectroscopy , valence (chemistry) , absorption spectroscopy , atomic orbital , electronic structure , molecular orbital , atomic physics , bond length , molecule , molecular physics , computational chemistry , physics , organic chemistry , quantum mechanics , electron
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