title: Communication: An exact bound on the bridge function in integral equation theories.
abstract: We show that the formal solution of the general closure relation occurring in Ornstein-Zernike-type integral equation theories in terms of the Lambert W function leads to an exact relation between the bridge function and correlation functions, most notably to an inequality that bounds possible bridge values. The analytical results are illustrated on the example of the Lennard-Jones fluid for which the exact bridge function is known from computer simulations under various conditions. The inequality has consequences for the development of bridge function models and rationalizes numerical convergence issues.
authors.affiliation: Physikalische Chemie III, Technische Universität Dortmund, Otto-Hahn-Straße 6, 44227 Dortmund, Germany. stefan.kast@tu-dortmund.de
authors.forename: Stefan M
authors.initials: SM
authors.lastname: Kast
authors.forename: Daniel
authors.initials: D
authors.lastname: Tomazic