Density-Functional Theory of Quantum Freezing: Sensitivity to Liquid-State Structure and Statistics
Abstract
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid, assuming negligible exchange for the Fermi solid. The required liquid-state input data are obtained from a paired phonon analysis and the Feynman approximation, connecting the static structure factor and the linear response function. The Fermi liquid is treated by the Wu-Feenberg cluster expansion, which approximately accounts for the effects of antisymmetry. Liquid-solid transitions for both systems are obtained with no adjustment of input data. Limited quantitative agreement with simulation indicates a need for further improvement of the liquid-state input through practical alternatives to the Feynman approximation.
Keywords
Cite
@article{arxiv.cond-mat/9703165,
title = {Density-Functional Theory of Quantum Freezing: Sensitivity to Liquid-State Structure and Statistics},
author = {A. R. Denton and P. Nielaba and N. W. Ashcroft},
journal= {arXiv preprint arXiv:cond-mat/9703165},
year = {2009}
}
Comments
IOP-TeX, 21 pages + 7 figures, to appear, J. Phys.: Condens. Matter