Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation

Details Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation

2007-05-09

arxiv.org/abs/0705.1295v1

Physical Review A, Vol. 75, 050501(R) (2007)

Physics

Condensed Matter

Materials Science

5 pages, 4 figures

Scientific paper

10.1103/PhysRevA.75.050501

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.

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