Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy

2015 ◽  
Vol 11 (9) ◽  
pp. 4146-4153 ◽  
Author(s):  
Bo Peng ◽  
Patrick J. Lestrange ◽  
Joshua J. Goings ◽  
Marco Caricato ◽  
Xiaosong Li
Keyword(s):  
Excited States ◽  
Absorption Spectroscopy ◽  
High Energy ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
X Ray ◽  
Coupled Cluster Methods ◽  
Specific Equation ◽  
Cluster Methods ◽  
X Ray Absorption

Revealing the charge/discharge mechanism of Na–O2 cells by in situ soft X-ray absorption spectroscopy

2018 ◽  
Vol 11 (8) ◽  
pp. 2073-2077 ◽  
Author(s):  
Mohammad N. Banis ◽  
Hossein Yadegari ◽  
Qian Sun ◽  
Tom Regier ◽  
Teak Boyko ◽  
...  
Keyword(s):  
Energy Density ◽  
Absorption Spectroscopy ◽  
High Energy ◽  
High Energy Density ◽  
X Ray ◽  
Discharge Mechanism ◽  
X Ray Absorption ◽  
Charge Discharge

Developing high energy density batteries, such as metal–air systems, requires a good understanding of their underlying electrochemical principles.

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