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arxiv: 0705.1295 · v1 · submitted 2007-05-09 · ❄️ cond-mat.mtrl-sci

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

classification ❄️ cond-mat.mtrl-sci
keywords theoremtime-dependentzero-forceapproximationkrieger-li-iafratesystemanalyticalanalyzing
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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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