Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
Materials Science
2007-05-23 v1
Abstract
We demonstrate that the time-dependent Krieger-Li-Iafrate approximation in combination with the exchange-only functional violates the `Zero-Force Theorem'. By analyzing the time-dependent dipole moment of Na5 and Na9+, we furthermore show that this can lead to an unphysical self-excitation of the system depending on the system properties and the excitation strength. Analytical aspects, especially the connection between the `Zero-Force Theorem' and the `Generalized-Translation Invariance' of the potential, are discussed.
Keywords
Cite
@article{arxiv.0705.1295,
title = {Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation},
author = {Michael Mundt and Stephan Kümmel and Robert van Leeuwen and Paul-Gerhard Reinhard},
journal= {arXiv preprint arXiv:0705.1295},
year = {2007}
}
Comments
5 pages, 4 figures