Close-packed configurations, `symmetry breaking', and the freezing transition in density functional theory
Yaakov Rosenfeld; Yaakov Rosenfeld; H H Wills Physics Laboratory, Bristol University, Royal Fort, Tyndall Avenue, Bristol BS8 1TL, UK
Журнал:
Journal of Physics: Condensed Matter
Дата:
1996-12-09
Аннотация:
It is shown that the density functional theory for the non-uniform hard-sphere fluid, which employs the geometrically based fundamental-measure free-energy functional, (1) has the mechanism to locate situations of hard-sphere closest packing, (2) features `symmetry breaking' that separates the solid-like and liquid-like solutions for the density profile equation, and (3) contains the free-volume cell theory as a special limit case.
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