Phase-space approach to dynamical density functional theory.

J Chem Phys

Dipartimento di Fisica, Università di Camerino, Via Madonna delle Carceri, Camerino 62032, Italy.

Published: May 2007

The authors consider a system of interacting particles subjected to Langevin inertial dynamics and derive the governing time-dependent equation for the one-body density. They show that, after suitable truncations of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy, and a multiple time scale analysis, they obtain a self-consistent equation involving only the one-body density. This study extends to arbitrary dimensions previous work on a one-dimensional fluid and highlights the subtleties of kinetic theory in the derivation of dynamical density functional theory.

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http://dx.doi.org/10.1063/1.2724823DOI Listing

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