title: Full canonical information from grand-potential density-functional theory.
abstract: We present a general and formally exact method to obtain the canonical one-body density distribution and the canonical free energy from direct decomposition of classical density functional results in the grand ensemble. We test the method for confined one-dimensional hard-core particles for which the exact grand potential density functional is explicitly known. The results agree to within high accuracy with those from exact methods and our Monte Carlo many-body simulations. The method is relevant for treating finite systems and for dynamical density functional theory.
authors.affiliation: Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: de Las Heras
authors.affiliation: Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany.
authors.forename: Matthias
authors.initials: M
authors.lastname: Schmidt