Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory

2021 ◽  
Author(s):  
Edward G. Hohenstein ◽  
Jimmy K. Yu ◽  
Christoph Bannwarth ◽  
Nanna Holmgaard List ◽  
Alexander C. Paul ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Density Functional ◽  
Functional Theory ◽  
Time Resolved ◽  
X Ray ◽  
Absorption Fine ◽  
Edge Features ◽  
X Ray Absorption

The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory

2013 ◽  
Vol 616 ◽  
pp. 178-185 ◽  
Author(s):  
Oscar Baseggio ◽  
Michele Romeo ◽  
Giovanna Fronzoni ◽  
Mauro Stener
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Density Functional ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Scanning-Tunneling Microscopy, Near-Edge X-ray-Absorption Fine Structure, and Density-Functional Theory Studies of N2O Orientation on Pd(110)

2006 ◽  
Vol 45 (3B) ◽  
pp. 2290-2294 ◽  
Author(s):  
Kazuo Watanabe ◽  
Anton Kokalj ◽  
Hideyuki Horino ◽  
Izabela I. Rzeznicka ◽  
Kazutoshi Takahashi ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption
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