A note on the uniqueness result for the inverse Henderson problem

Frommer, F.; Hanke, M. und Jansen, S. (2019): A note on the uniqueness result for the inverse Henderson problem. In: Journal of Mathematical Physics, Bd. 60, Nr. 9, 093303

Abstract

The inverse Henderson problem of statistical mechanics is the theoretical foundation for many bottom-up coarse-graining techniques for the numerical simulation of complex soft matter physics. This inverse problem concerns classical particles in continuous space which interact according to a pair potential depending on the distance of the particles. Roughly stated, it asks for the interaction potential given the equilibrium pair correlation function of the system. In 1974, Henderson proved that this potential is uniquely determined in a canonical ensemble and he claimed the same result for the thermodynamical limit of the physical system. Here, we provide a rigorous proof of a slightly more general version of the latter statement using Georgii's variant of the Gibbs variational principle. Published under license by AIP Publishing.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Mathematik, Informatik und Statistik > Mathematik
• Themengebiete: 500 Naturwissenschaften und Mathematik > 510 Mathematik
• ISSN: 0022-2488
• Sprache: Englisch