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The OCEAN suite: core excitations
Shirley, E. L., Vinson, J. T. and Gilmore, K.  International Tables for Crystallography (2020). Early view chapter [ doi:10.1107/S157487072000333X ]
... core-level spin-orbit interactions. An atomic program within OCEAN (Shirley, 1991 ) facilitates treatment of atomic effects and reconstruction of all ... In pseudopotential calculations, electron partial waves with low angular momentum l, up to l = 2 or l = 3, experience a different potential in ...

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