Jellium density, embedding energy

Fig. 3. Energy AE " of hydrogen and oxygen embedded in infinite jellium as a function of jellium density The energy zero is the energy of the free atom [16]...

These are determined from the self-consistent-field local density (SCF-LD) functional calculations (Puska et al. 1981) on the embedding energy of an atom in jellium. The values as a function of jellium densities are represented by a Morse-like form. (It is not strictly a Morse potential since density is the variable instead of distance.) The variable, r depends upon the density of the solid at the position of A ... 

Figure 20. Embedding energy as a function of jellium density for two different atoms. The data are from Puska et al (1981).

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