Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids

被引:161
作者
Rosenfeld, Y
Tarazona, P
机构
[1] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel
[2] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain
[3] Univ Autonoma Madrid, Inst Nicolas Cabrera, E-28049 Madrid, Spain
关键词
D O I
10.1080/00268979809483145
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
On the basis of the fundamental-measure free energy functional for hard spheres and thermodynamic perturbation theory, a unified analytical description of classical bulk solids and fluids is obtained, predicting correctly the major features of their equations of state and freezing parameters as obtained by simulations. The fundamentally different fluid and solid asymptotic high density expansions for the potential energy, featuring a static-lattice Madelung term and the harmonic 3/2k(B)T correction, on one hand, and a fluid Madelung energy with a similar to T-3/5 thermal energy correction, on the other, both originate from the same singularity in the hard sphere free energy functional.
引用
收藏
页码:141 / 150
页数:10
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