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The relativistic KS equations are
Dirac-like equations for a spinor with a ``large''
Rnlj(r) and
a ``small''
Snlj(r) component:
c +  Rnlj(r) |
= |
2mc2 - V(r) +  Snlj(r) |
(9) |
c -  Snlj(r) |
= |
V(r) +  Rnlj(r) |
(10) |
where j is the total angular momentum (j = 1/2 if l = 0,
j = l + 1/2, l - 1/2 otherwise);
= - 2(j - l )(j + 1/2) is the Dirac
quantum number (
= - 1 is l = 0,
= - l - 1, l otherwise);
and the charge density is given by
Filippo Spiga
2016-04-24