Ja. Anta et Aa. Louis, Probing ion-ion and electron-ion correlations in liquid metals within the quantum hypernetted chain approximation, PHYS REV B, 61(17), 2000, pp. 11400-11410
We use the quantum hypernetted chain approximation to calculate the ion-ion
and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, C
a, and Ga. We discuss trends in electron-ion structure factors and radial d
istribution functions, and also calculate the free-atom and metallic-atom f
orm factors, focusing on how bonding effects affect the interpretation of x
-ray scattering experiments, especially measurements of the ion-ion structu
re factor in the liquid metallic phase.