Solving the Dirac equation, using the large component only, in a Dirac-type Slater orbital basis set

1995 ◽  
Vol 236 (3) ◽  
pp. 235-241 ◽  
Author(s):  
E. van Lenthe ◽  
E.J. Baerends ◽  
J.G. Snijders
Keyword(s):  
Dirac Equation ◽  
Basis Set ◽  
Large Component ◽  
Slater Orbital ◽  
Orbital Basis ◽  
Dirac Type

Projection of spin density in the paired orbital basis set

2021 ◽  
Vol 62 (7) ◽  
Author(s):  
Д.А. Овчинников ◽  
И.Л. Зильберберг ◽  
С.Ф. Рузанкин
Keyword(s):  
Spin Density ◽  
Basis Set ◽  
Orbital Basis

scholarly journals Application of discrete-basis-set methods to the Dirac equation

1981 ◽  
Vol 23 (5) ◽  
pp. 2093-2098 ◽  
Author(s):  
G. W. F. Drake ◽  
S. P. Goldman
Keyword(s):  
Dirac Equation ◽  
Basis Set

scholarly journals Dual Kinetic Balance Approach to Basis-Set Expansions for the Dirac Equation

2004 ◽  
Vol 93 (13) ◽  
Author(s):  
V. M. Shabaev ◽  
I. I. Tupitsyn ◽  
V. A. Yerokhin ◽  
G. Plunien ◽  
G. Soff
Keyword(s):  
Dirac Equation ◽  
Basis Set ◽  
Balance Approach

Comparison of diborane molecular properties from minimum basis set and extended Slater orbital wave functions

1972 ◽  
Vol 94 (13) ◽  
pp. 4461-4467 ◽  
Author(s):  
Edward A. Laws ◽  
Richard M. Stevens ◽  
William N. Lipscomb
Keyword(s):  
Wave Functions ◽  
Molecular Properties ◽  
Basis Set ◽  
Slater Orbital
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