Abstract
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, Ca, and Ga. We discuss trends in electron-ion structure factors and radial distribution functions, and also calculate the free-atom and metallic-atom form factors, focusing on how bonding effects affect the interpretation of x-ray scattering experiments, especially measurements of the ion-ion structure factor in the liquid metallic phase.
- Received 22 July 1999
DOI:https://doi.org/10.1103/PhysRevB.61.11400
©2000 American Physical Society