Communication: Fundamental measure theory for hard disks: Fluid and solid

Language
en
Document Type
Article
Issue Date
2012-11-08
Issue Year
2012
Authors
Roth, Roland
Mecke, Klaus
Oettel, Martin
Editor
Abstract

Two-dimensional hard-particle systems are rather easy to simulate but surprisingly difficult to treat by theory. Despite their importance from both theoretical and experimental points of view, theoretical approaches are usually qualitative or at best semi-quantitative. Here, we present a density functional theory based on the ideas of fundamental measure theory for two-dimensional hard-disk mixtures, which allows for the first time an accurate description of the structure of the dense fluid and the equation of state for the solid phase within the framework of density functional theory. The properties of the solid phase are obtained by freely minimizing the functional.

Journal Title
Journal of Chemical Physics 136.8 (2012): 06.11.2012 <http://jcp.aip.org/resource/1/jcpsa6/v136/i8/p081101_s1>
Citation
Journal of Chemical Physics 136.8 (2012): 06.11.2012 <http://jcp.aip.org/resource/1/jcpsa6/v136/i8/p081101_s1>
DOI
Document's Licence
Zugehörige ORCIDs