Particle conservation in dynamical density functional theory
- Heras, Daniel de las Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, Germany
- Brader, Joseph M. Department of Physics, University of Fribourg, Switzerland
- Fortini, Andrea Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, Germany - Department of Physics, University of Surrey, Guildford, UK
- Schmidt, Matthias Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, Germany
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26.04.2016
Published in:
- Journal of Physics: Condensed Matter. - 2016, vol. 28, no. 24, p. 244024
English
We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Physique
- Language
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 261173
- DOI 10.1088/0953-8984/28/24/244024
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304899
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