Published February 19, 2003 | Version v1
Journal article

Mean-field dynamical density functional theory

  • 1. University Chemical Laboratory, Lensfield Road, Cambridge (United Kingdom)

Description

We examine the out-of-equilibrium dynamical evolution of density profiles of ultrasoft particles under time-varying external confining potentials in three spatial dimensions. The theoretical formalism employed is the dynamical density functional theory (DDFT) of Marini, Bettolo, Marconi and Tarazona (1999 J. Chem. Phys. 110 8032), supplied by an equilibrium excess free energy functional that is essentially exact. We complement our theoretical analysis by carrying out extensive Brownian dynamics simulations. We find excellent agreement between theory and simulations for the whole time evolution of density profiles, demonstrating thereby the validity of the DDFT when an accurate equilibrium free energy functional is employed. (letter to the editor)

Availability note (English)

Available online at http://stacks.iop.org/0953-8984/15/L147/c306l2.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
15
Journal Issue
6
Journal Page Range
p. L147-L154
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
34026138
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BROWNIAN MOVEMENT; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; MEAN-FIELD THEORY; THREE-DIMENSIONAL CALCULATIONS
Descriptors DEC
CALCULATION METHODS; SIMULATION; VARIATIONAL METHODS