Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

1979 ◽  
Vol 19 (2) ◽  
pp. 793-805 ◽  
Author(s):  
C. S. Wang ◽  
A. J. Freeman
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Linear Combination ◽  
The Self ◽  
Basis Set ◽  
Atomic Orbitals ◽  
Self Consistent

Fast method for calculating the self-consistent electronic structure of random alloys

1984 ◽  
Vol 30 (10) ◽  
pp. 5508-5515 ◽  
Author(s):  
D. D. Johnson ◽  
F. J. Pinski ◽  
G. M. Stocks
Keyword(s):  
Electronic Structure ◽  
The Self ◽  
Fast Method ◽  
Self Consistent ◽  
Random Alloys

Basis set convergence of atomic axial tensors obtained from self‐consistent field calculations using London atomic orbitals

1994 ◽  
Vol 100 (9) ◽  
pp. 6620-6627 ◽  
Author(s):  
Keld L. Bak ◽  
Poul Jo/rgensen ◽  
Trygve Helgaker ◽  
Kenneth Ruud ◽  
Hans Jo/rgen Aa. Jensen
Keyword(s):  
Basis Set ◽  
Set Convergence ◽  
Atomic Orbitals ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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