Simple Metals and Jellium

It turns out that for the s and p block metals, a simple model, namely, thejdlium model provides useful insight. In this model, the discrete nature of the ionic lattice is replaced with a smeared out uniform positive background exactly equal to that of the valence electron gas. In jellium, each element is completely specified by just the electron density n = N/V, where N is the number of electrons in the crystal and V is its volume. Often, the electron density is given in terms of the so-called Wigner-Seitz radius, tj, where tg = which corresponds to the spherical 

For the completely smeared out constant ion density of jellium, the electron-ion ( e-nucj ion-ion (p uc-nucj energies cancel exactly with the Hartree energy ( Hartreej i.e., + Hartree q. This then leaves 

12) The large dip in the PDOS of Mo and other transition metals with half-filled d bands is actually the reason why these elements possess a bcc structure. Systems typically prefer an atomic structure that leads to 

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