含时Krieger-Li-Iafrate近似中“零力定理”的违反
Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
摘要：
我们证明了与时间相关的Krieger-Li-Iafrate近似与仅交换泛函相结合违反了“零力定理”。通过分析Na ~（5+）和Na ~（9+）的偶极距随时间的变化，我们进一步证明了这可能导致系统的非物理自激发，这取决于系统的性质和激发强度。分析方面，特别是连接之间的“零力定理”和“广义平移不变性”的潜力，进行了讨论。
英文摘要：
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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