Dresden 2011 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 38: Poster: Colloids and Complex Liquids

CPP 38.31: Poster

Mittwoch, 16. März 2011, 17:00–19:00, P2

Weight functions in fundamental measures density functional theory — •Markus Burgis and Matthias Schmidt — Theoretische Physik II, Physikalisches Institut, Universitätsstraße 30, D-95440 Bayreuth

An overview of the key geometrical ingredients of fundamental measures density functional theory is given. In particular the mathematical structure behind the four different types of scalar Kierlik-Rosinberg weight functions is investigated. These weight functions are used to represent the Mayer bond of hard sphere mixtures via pairwise convolution. The range of all weight functions, i.e. the hard sphere radius, can be changed by a convolution transformation. The relevance to both the fundamental measures density functional for additive hard spheres as well as to its generalization to non-additive binary mixtures is discussed.