Berlin 2015 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 15: Statistical Physics - general

DY 15.1: Vortrag

Dienstag, 17. März 2015, 09:30–09:45, BH-N 334

Extracting Canonical Information from Grand Potential Density Functional Theory — •Daniel de las Heras and Matthias Schmidt — Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany

Studying averaged quantities that compress the full many-body information into digestible, analyzable and experimentally measurable quantities lies at the core of essentially all condensed matter physics. Moreover, suitable averaging often simplifies theoretical treatments. An example is the use of the grand canonical ensemble, which permits fluctuations in the total number of particles, in the formulation statistical mechanical liquid state theories. The structuring and self-assembly of real systems, however, can depend crucially on the precise number of particles in the system. In particular small systems, such as e.g. finite colloidal clusters, are better analyzed canonically, where the number of particles is fixed.

We present a general and formally exact method to obtain the canonical one-body density distribution and the canonical partition sums from direct decomposition of classical density functional results in the grand canonical ensemble [1]. The method is relevant for treating finite systems.

[1] D. de las Heras, and M. Schmidt. Accepted in Phys. Rev. Lett. (2014).