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

Journal article


Publication Details

Author(s): Roth R, Mecke K, Oettel M
Journal: Journal of Chemical Physics
Publisher: AMER INST PHYSICS
Publication year: 2012
Volume: 136
Journal issue: 8
ISSN: 0021-9606


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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3687921]


FAU Authors / FAU Editors

Mecke, Klaus Prof. Dr.
Lehrstuhl für Theoretische Physik
Roth, Roland Prof. Dr.
Professur für Theoretische Physik


External institutions
Johannes Gutenberg-Universität Mainz


How to cite

APA:
Roth, R., Mecke, K., & Oettel, M. (2012). Communication: Fundamental measure theory for hard disks: Fluid and solid. Journal of Chemical Physics, 136(8). https://dx.doi.org/10.1063/1.3687921

MLA:
Roth, Roland, Klaus Mecke, and Martin Oettel. "Communication: Fundamental measure theory for hard disks: Fluid and solid." Journal of Chemical Physics 136.8 (2012).

BibTeX: 

Last updated on 2018-10-08 at 19:39