Barium TDLDA

Fig. 5, Barium photoabsorption, LDA (dashed line), TDLDA (heavy solid line), RPAE (dashed-dot line), RPAE + relax (dotted line), experiment from Ref. 19 (light solid line), normalized with use of f-sum rule.

Fig 6, Barium 5s and 5p partial cross sections, TDLDA (solid lines), data from Ref. 24 normalized to calculation for one curve only,... 

The TDLDA total photoabsorption cross section for barium is also illustrated in Figure 5, This calculation contains no relaxation effects all orbitals are found in the ground state LDA potential, Clearly, relaxation (a real physical effect ) manifests itself differently in the LDA and HFA, One crude way to include some type of relaxation into a TDLDA calculation is by use of a transition state potential in place of, This artifice is known to... 

The success of the TDLDA for the barium total photoabsorption is mirrored in the resonant behaviour of the valence level partial photoemission cross sections near the 4d threshold (Figure 6). This... 

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