Basis‐set‐free local density‐functional calculations of geometries of polyatomic molecules

1993 ◽  
Vol 99 (5) ◽  
pp. 3898-3905 ◽  
Author(s):  
Ross M. Dickson ◽  
Axel D. Becke
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Local Density ◽  
Polyatomic Molecules ◽  
Basis Set ◽  
Local Density Functional

Local-density-functional calculations of the vacancy-oxygen center in Ge

2007 ◽  
Vol 75 (11) ◽  
Author(s):  
A. Carvalho ◽  
R. Jones ◽  
J. Coutinho ◽  
V. J. B. Torres ◽  
S. Öberg ◽  
...  
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Local Density ◽  
Oxygen Center ◽  
Local Density Functional

Local-density-functional calculations of the energy of atoms

1997 ◽  
Vol 55 (1) ◽  
pp. 191-199 ◽  
Author(s):  
Svetlana Kotochigova ◽  
Zachary H. Levine ◽  
Eric L. Shirley ◽  
M. D. Stiles ◽  
Charles W. Clark
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Local Density ◽  
Local Density Functional
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