离子在相互作用电子气中摩擦的含时电流密度泛函理论
Time-dependent current-density functional theory for the friction of ions in an interacting electron gas
摘要：
由于含时密度泛函理论（TDDFT）的交换和关联核$f_{xc}({\bf r},{\bf r}',ω)$（\em标量）的强非定域性，在中、低密度电子气中，如果对$f_{xc}({\bf r},{\bf r}',ω)$采用定域密度近似（LDA），则离子的相互作用电子气（EG）摩擦系数Q的计算公式对重离子的Q值会偏大。尽管公式本身在形式上是精确的。我们已经纠正了这一不利的功能，通过重新制定的公式Q的{ \em张量} xc内核的时间依赖电流密度泛函理论，LDA可以适用于没有固有的困难。我们的数值结果发现自己在一个相当好的协议与实验的Al和Au的慢离子的阻止能力比以前得到的LDA的TDDFT。
英文摘要：
Due to the strongly nonlocal nature of $f_{xc}({\bf r},{\bf r}',ω)$ the {\em scalar} exchange and correlation (xc) kernel of the time-dependent density-functional theory (TDDFT), the formula for Q the friction coefficient of an interacting electron gas (EG) for ions tends to give a too large value of Q for heavy ions in the medium- and low-density EG, if we adopt the local-density approximation (LDA) to $f_{xc}({\bf r},{\bf r}',ω)$, even though the formula itself is formally exact. We have rectified this unfavorable feature by reformulating the formula for Q in terms of the {\em tensorial} xc kernel of the time dependent current-density functional theory, to which the LDA can be applied without intrinsic difficulty. Our numerical results find themselves in a considerably better agreement with the experimental stopping power of Al and Au for slow ions than those previously obtained within the LDA to the TDDFT.
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