Time-Dependent Density Functional Theory for Driven Lattice Gas Systems with Interactions

Details Time-Dependent Density Functional Theory for Driven Lattice Gas Systems with Interactions Time-Dependent Density Functional Theory for Driven Lattice Gas Systems with Interactions

2010-11-15

arxiv.org/abs/1011.3415v1

Physics

Condensed Matter

Statistical Mechanics

11 pages, 3 figures

Scientific paper

We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional theory for lattice systems and allows one to set up closed evolution equations for mean site occupation numbers in a systematic manner. Application of the method to a totally asymmetric site exclusion process with nearest-neighbor interactions yields predictions for the current-density relation in the bulk, the phase diagram of non-equilibrium steady states and the time evolution of density profiles that are in good agreement with results from kinetic Monte Carlo simulations.

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