Nonempirical calculations of the structure and relative stability of sodium hydrides with consideration of the electron correlation

1986 ◽  
Vol 26 (4) ◽  
pp. 520-524
Author(s):  
A. S. Zyubin ◽  
A. A. Gorbik ◽  
O. P. Charkin
Keyword(s):  
Electron Correlation ◽  
Relative Stability ◽  
Nonempirical Calculations

Relative stability of FeS2polymorphs with the random phase approximation approach

2018 ◽  
Vol 6 (15) ◽  
pp. 6606-6616 ◽  
Author(s):  
Min-Ye Zhang ◽  
Zhi-Hao Cui ◽  
Hong Jiang
Keyword(s):  
Electron Correlation ◽  
Relative Stability ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Correct Prediction ◽  
Phase Approximation ◽  
Approximation Approach

We highlight the role of electron correlation in the correct prediction of the relative stability of FeS2polymorphs by ACFDT-RPA.

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