含时密度泛函理论的action积分泛函推导中变分原理的修正
Modifying the variational principle in the action integral functional derivation of time-dependent density functional theory
摘要：
根据G. Vignale [Phys.Rev.A77，062511（2008），arXiv：0803.2727]中，在基于Runge-Gross（RG）作用积分泛函（AIF）的依赖于时间的密度泛函理论（TDDFT）的原始推导中出现的问题是由于不正确的变分原理（VP）。这一论点和拟议的修改VP的批判性分析。然而，更根本的问题是RG AIF的不确定性。与普遍持有的信念相反，不确定性在变分过程中没有消除，这无意中被Vignale的初始点所证实。
英文摘要：
According to a recent paper by G. Vignale [Phys. Rev. A 77, 062511 (2008), arXiv:0803.2727], the problems arising in the original derivation of time-dependent density functional theory (TDDFT) based on the Runge-Gross (RG) action-integral functional (AIF) are due to an incorrect variational principle (VP). This argument and the proposed modification of the VP are critically analyzed. The more fundamental problem, though, is the indefiniteness of the RG AIF. In contrast to a widely held belief, that indefiniteness is not eliminated in the variational procedure, which unwittingly is corroborated by Vignale's initial point.
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