Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals investigation of the electronic structure and properties of TiS2

1977 ◽  
Vol 16 (2) ◽  
pp. 906-924 ◽  
Author(s):  
Alex Zunger ◽  
A. J. Freeman
Keyword(s):  
Electronic Structure ◽  
Linear Combination ◽  
Basis Set ◽  
Structure And Properties ◽  
Atomic Orbitals ◽  
Self Consistent

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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