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Trends across the periodic table

Figures 6 - 9 display various trends across the periodic table, utilizing the data contained in the tables.


Total Energy of atoms vs. atomic number
Fig. 6.: Difference of LDA and LSD total energies of neutral atoms, vs. atomic number Z.

Total Energy of atoms vs. atomic number
Fig. 7.: Difference of ScRLDA and RLDA total energies of neutral atoms, vs. atomic number Z.

Total Energy of atoms vs. atomic number
Fig. 8.: Difference of LDA and RLDA total energies of neutral atoms, vs. atomic number Z.

Ionization potentials of the elements
Fig. 9.: Ionization potentials of the elements, as obtained from experiment (blue line, to be referred to scale on left)); and differences of calculated and experimental values for the LDA (black), LSD (green), and RLDA (red) approximations, all to be referenced to the right-hand energy scale.

next up previous
Next: The LDA approximation Up: Results Previous: Reliability: eigenvalues