铝原子间的相互作用采用嵌入原子法(EAM)多体势计算。

An embedded atom method (EAM) potential is employed for computing atomic interaction in aluminum.

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计算结果表明该重叠积分可以用来表示稀有气体原子间的排斥势。

Their results show that interatomic repulsive of the rare gas can be expressed by the overlap integrals.

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本文用紧束缚模型和单电子理论研究吸附原子间的间接相互作用能。

The indirect interaction between adatoms are studied by using tight-binding model and one-electron theory.

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There's absolutely no reason I couldn't have switched it around and said that instead the pi orbitals form between these atoms instead of those first atoms I showed.

我完全没有理由,不能把它转过来,现在π键在这些原子间,而不是我开始展示的那些原子间。

麻省理工公开课 - 化学原理课程节选

So, for example, if I have a sodium ion over here, and I have a chloride ion over here, where the distance from center to center r I'm denoting as r, this is nucleus to nucleus separation.

所以，比如这有一个钠离子，和一个氯离子，它们中心与中心间的距离,我把它设为，这是原子核和原子和的间距。

麻省理工公开课 - 固态化学导论课程节选

All right, so what we see here is we have our sigma bond that's along the internuclear axis here, but we also have a pi bond, because each of these atoms now has electrons in it's in a p orbital, so we're going to overlap of electron density above and below the bond.

这里我们看到sigma键,是沿着核间轴的，但我们还有一个π键，因为每个原子的p轨道上,都有电子，所以电子密度在键的上面,和下面都有电子密度交叠。

麻省理工公开课 - 化学原理课程节选