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

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autorinnen und Autoren: Roth R, Mecke K, Oettel M
Zeitschrift: Journal of Chemical Physics
Jahr der Veröffentlichung: 2012
Band: 136
Heftnummer: 8
ISSN: 0021-9606
eISSN: 1089-7690


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. []

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

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

Einrichtungen weiterer Autorinnen und Autoren

Johannes Gutenberg-Universität Mainz


Roth, R., Mecke, K., & Oettel, M. (2012). Communication: Fundamental measure theory for hard disks: Fluid and solid. Journal of Chemical Physics, 136(8).

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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