Resonant Inelastic X-ray Scattering Calculations of Transition Metal Complexes Within a Simplified Time-Dependent Density Functional Theory Framework

2021 ◽  
Author(s):  
Daniel R. Nascimento ◽  
Elisa Biasin ◽  
Benjamin I. Poulter ◽  
Munira Khalil ◽  
Dimosthenis Sokaras ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Transition Metal Complexes ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Scattering ◽  
Theory Framework ◽  
Dependent Density

scholarly journals Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory

2012 ◽  
Vol 137 (19) ◽  
pp. 194306 ◽  
Author(s):  
Yu Zhang ◽  
Jason D. Biggs ◽  
Daniel Healion ◽  
Niranjan Govind ◽  
Shaul Mukamel
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
X Ray ◽  
Dependent Density
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