The role of the reference state in long-range random phase approximation correlation

2009 ◽  
Vol 131 (15) ◽  
pp. 154106 ◽  
Author(s):  
Benjamin G. Janesko ◽  
Gustavo E. Scuseria
Keyword(s):  
Long Range ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Reference State ◽  
Phase Approximation

scholarly journals Investigation of the rhodium-catalyzed hydroboration of NHC-boranes: the role of alkene coordination and the origin of enantioselectivity

2019 ◽  
Vol 48 (47) ◽  
pp. 17605-17611
Author(s):  
Paola Nava ◽  
Momar Toure ◽  
Amel Abdou Mohamed ◽  
Jean-Luc Parrain ◽  
Olivier Chuzel
Keyword(s):  
Density Functional Theory ◽  
Random Phase Approximation ◽  
Density Functional ◽  
Random Phase ◽  
Approximation Methods ◽  
Phase Approximation ◽  
Functional Theory

The mechanism of the intramolecular enantioselective rhodium(i)-catalyzed hydroboration of NHC-boranes is investigated by experiments and calculations, using Density Functional Theory and Random Phase Approximation methods.

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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