scholarly journals Double core hole valence-to-core x-ray emission spectroscopy: A theoretical exploration using time-dependent density functional theory

2019 ◽  
Vol 151 (14) ◽  
pp. 144114 ◽  
Author(s):  
Yu Zhang ◽  
Uwe Bergmann ◽  
Robert Schoenlein ◽  
Munira Khalil ◽  
Niranjan Govind
Keyword(s):  
Density Functional Theory ◽  
Emission Spectroscopy ◽  
Density Functional ◽  
Time Dependent ◽  
Core Hole ◽  
Functional Theory ◽  
X Ray ◽  
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

High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory

2013 ◽  
Vol 15 (48) ◽  
pp. 20911 ◽  
Author(s):  
Frederico A. Lima ◽  
Ragnar Bjornsson ◽  
Thomas Weyhermüller ◽  
Perumalreddy Chandrasekaran ◽  
Pieter Glatzel ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
High Resolution ◽  
Absorption Spectroscopy ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Absorption ◽  
Dependent Density
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