Keywords: pseudo-gen

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## A..3 Scalar-relativistic case

The full relativistic KS equations is be transformed into an equation for the large component only and averaged over spin-orbit components. In atomic units (Rydberg: = 1, m = 1/2, e2 = 2):

- + + M(r)V(r) - Rnl(r) |  |  |
- + = 0, |  |  | (12)

where = 1/137.036 is the fine-structure constant, = - 1 is the degeneracy-weighted average value of the Dirac's for the two spin-orbit-split levels, M(r) is defined as

M(r) = 1 - V(r) - . | (13)

The charge density is defined as in the nonrelativistic case:

n(r) = . | (14)