Mean-field dynamical density functional theory
Creators
- 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
- URL
- http://stacks.iop.org/0953-8984/15/L147/c306l2.pdf; http://www.iop.org/;
- PII
- S0953-8984(03)58754-9;
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