Capture of heliophobic atoms by 4He nanodroplets: the case of cesium
Capture of heliophobic atoms by 4He nanodroplets: the case of cesium
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DOI：
10.1039/c4cp03297g
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发表时间：
2014-11-14
影响因子：
3.3
通讯作者：
Barranco, Manuel
中科院分区：
文献类型：
--
作者：
Leal, Antonio;Mateo, David;Barranco, Manuel
在密度泛函理论（DFT）中，我们使用不同复杂度的模型来解决超流氦纳米滴捕获Cs原子的问题。在最简单的模型中，Cs-液滴势是在两个极端的近似下得到的，即突然近似，其中假设液滴的密度随着Cs的接近而不松弛，以及绝热近似，其中假设液滴的密度随着Cs的接近而松弛。接下来，采用了一种更复杂的方法，其中在时间相关DFT方法内描述了冲突。根据碰撞Cs原子的能量和碰撞参数，出现了丰富多样的动力学现象，并进行了详细的讨论。
Within Density Functional Theory (DFT), we address the capture of a Cs atom by a superfluid helium nanodroplet using models of different complexity. In the simplest model, the Cs-droplet potential is obtained in two extreme approximations, namely the sudden approximation in which one assumes that the density of the droplet is not relaxed as Cs approaches it, and the adiabatic approximation in which one assumes that it does. Next, a more complex approach in which the collision is described within a time-dependent DFT approach is employed. Depending on the energy and impact parameter of the impinging Cs atom, a rich variety of dynamical phenomena appears that is discussed in some detail.