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

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autor(en): Roth R, Mecke K, Oettel M
Zeitschrift: Journal of Chemical Physics
Jahr der Veröffentlichung: 2012
Band: 136
Heftnummer: 8
ISSN: 0021-9606


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-Autoren / FAU-Herausgeber

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

Autor(en) der externen Einrichtung(en)
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).


Zuletzt aktualisiert 2018-10-08 um 19:39