Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application toSiO2

1987 ◽  
Vol 59 (10) ◽  
pp. 1136-1139 ◽  
Author(s):  
Douglas C. Allan ◽  
Michael P. Teter
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
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

scholarly journals Hartree-Fock method posed as a density-functional theory: Application to the Be atom

1993 ◽  
Vol 48 (4) ◽  
pp. 2708-2715 ◽  
Author(s):  
A. Holas ◽  
N. H. March ◽  
Y. Takahashi ◽  
C. Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Hartree Fock ◽  
Theory Application
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