含时内DFT形式和Kohn-Sham格式
Time-dependent Internal DFT formalism and Kohn-Sham scheme
摘要:
我们将参考文献[14]中提出的定态内DFT / Kohn-Sham形式推广到含时情形。我们证明了在含时情形下,自束缚系统(作为原子核)的内部性质都是由内部单体密度和初始态所定义的。我们建立了一个含时的InternalKohn-Sham格式作为计算内部密度的实用方法。与传统的DFT / Kohn-Sham形式主义的主要区别是在泛函中包含了质心相关。
英文摘要:
We generalize to the time-dependent case the stationary Internal DFT / Kohn-Sham formalism presented in Ref. [14]. We prove that, in the time-dependent case, the internal properties of a self-bound system (as an atomic nuclei) are all defined by the internal one-body density and the initial state. We set-up a time-dependent Internal Kohn-Sham scheme as a practical way to compute the internal density. The main difference with the traditional DFT / Kohn-Sham formalism is the inclusion of the center-of-mass correlations in the functional.
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