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

Roth R, Mecke K, Oettel M (2012)

Publication Status: Published

Publication Type: Journal article

Publication year: 2012

Journal

Journal of Chemical Physics AIP Publishing

Publisher: AMER INST PHYSICS

Book Volume: 136

Journal Issue: 8

DOI: 10.1063/1.3687921

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]

Authors with CRIS profile

Roland Roth Professur für Theoretische Physik Klaus Mecke Lehrstuhl für Theoretische Physik

Involved external institutions

Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

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://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).

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