scholarly journals Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential

2011 ◽  
Vol 107 (18) ◽  
Author(s):  
Xavier Andrade ◽  
Alán Aspuru-Guzik
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Correlation Potential ◽  
Derivative Discontinuity ◽  
Exchange And Correlation

scholarly journals Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

2020 ◽  
Vol 153 (7) ◽  
pp. 074114
Author(s):  
Aaron D. Kaplan ◽  
Biswajit Santra ◽  
Puskar Bhattarai ◽  
Kamal Wagle ◽  
Shah Tanvir ur Rahman Chowdhury ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Atomic Ions ◽  
Exchange And Correlation
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