Probing Ion-Ion and Electron-Ion Correlations in Liquid Metals within the Quantum Hypernetted Chain Approximation
Materials Science
2009-10-31 v1 Statistical Mechanics
Abstract
We use the Quantum Hypernetted Chain Approximation (QHNC) 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 experimental measurements of the ion-ion structure factor in the liquid metallic phase.
Keywords
Cite
@article{arxiv.cond-mat/9909116,
title = {Probing Ion-Ion and Electron-Ion Correlations in Liquid Metals within the Quantum Hypernetted Chain Approximation},
author = {J. A. Anta and A. A. Louis},
journal= {arXiv preprint arXiv:cond-mat/9909116},
year = {2009}
}
Comments
RevTeX, 19 pages, 7 figures