Density-gradient analysis for density functional theory: Application to atoms

1997 ◽  
Vol 61 (5) ◽  
pp. 835-845 ◽  
Author(s):  
Ale? Zupan ◽  
John P. Perdew ◽  
Kieron Burke ◽  
Mauro Caus�
Keyword(s):  
Density Functional Theory ◽  
Density Gradient ◽  
Density Functional ◽  
Gradient Analysis ◽  
Functional Theory ◽  
Theory Application

Local-orbital occupancy formulation of density functional theory: Application to Si, C, and graphene

2006 ◽  
Vol 73 (23) ◽  
Author(s):  
Y. J. Dappe ◽  
R. Oszwaldowski ◽  
P. Pou ◽  
J. Ortega ◽  
R. Pérez ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Theory Application ◽  
Orbital Occupancy
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