Center of mass and relative motion in time dependent density functional theory
Abstract
It is shown that the exchange-correlation part of the action functional in time-dependent density functional theory , where is the time-dependent density, is invariant under the transformation to an accelerated frame of reference , where is an arbitrary function of time. This invariance implies that the exchange-correlation potential in the Kohn-Sham equation transforms in the following manner: . Some of the approximate formulas that have been proposed for satisfy this exact transformation property, others do not. Those which transform in the correct manner automatically satisfy the ``harmonic potential theorem", i.e. the separation of the center of mass motion for a system of interacting particles in the presence of a harmonic external potential. A general method to generate functionals which possess the correct symmetry is proposed.
Keywords
Cite
@article{arxiv.cond-mat/9412100,
title = {Center of mass and relative motion in time dependent density functional theory},
author = {G. Vignale},
journal= {arXiv preprint arXiv:cond-mat/9412100},
year = {2009}
}